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Back ChemicalBook Home>CAS DataBase List>71-41-0More Spectrum> 1-Pentanol(71-41-0) Raman

1-Pentanol(71-41-0) Raman

Product Name1-Pentanol

CAS71-41-0

Molecular FormulaC5H12O

Molecular Weight88.15

InChIInChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3

InChIKey AMQJEAYHLZJPGS-UHFFFAOYSA-N

SmilesC(O)CCCC


  • Mass

    MS-NW-1066          
    1-pentanol
    C5H12O              (Mass of molecular ion:     88)
    

       Source Temperature: 240 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          15.0       1.4
          26.0       1.7
          27.0      17.7
          28.0       3.3
          29.0      38.1
          30.0       1.0
          31.0      43.3
          39.0      11.1
          40.0       2.1
          41.0      50.9
          42.0     100.0
          43.0      21.1
          44.0       2.5
          45.0       4.8
          53.0       1.6
          54.0       1.2
          55.0      65.1
          56.0      15.3
          57.0      21.3
          58.0       1.9
          60.0       1.3
          69.0       5.8
          70.0      51.0
          71.0       4.0
    

400 MHz in CDCl3

90 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C5 H12 O 0.05 ml : 0.5 ml CDCl3
    1-pentanol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.596 B 3.05 C 1.558 D 1.34 E 1.32 F 0.910

         Hz     ppm     Int.
    

       1450.32   3.629     30
       1444.09   3.614    551
       1437.26   3.597    956
       1430.54   3.580    563
       1217.16   3.046    779
        636.84   1.594     74
        635.01   1.589     59
        632.08   1.582     78
        629.76   1.576    211
        627.93   1.572    152
        626.83   1.569    136
        625.12   1.565    140
        622.68   1.559    297
        620.97   1.554    206
        620.12   1.552    181
        618.29   1.548    134
        615.60   1.541    240
        608.89   1.524     89
        552.61   1.383     35
        550.29   1.377     45
        549.07   1.374     51
        546.02   1.367     84
        544.92   1.364     90
        543.70   1.361     98
        537.35   1.345    546
        535.89   1.341    290
        533.81   1.336    454
        531.98   1.332    384
        529.91   1.326    708
        526.73   1.318    393
        522.83   1.309    297
        519.65   1.301    112
        517.09   1.294     68
        514.65   1.288     52
        510.86   1.279     30
        379.39   0.950     30
        375.49   0.940     48
        372.68   0.933     78
        371.34   0.930     93
        369.63   0.925    379
        367.43   0.920    235
        364.50   0.913    340
        362.55   0.908   1000
        357.30   0.895    233
        355.35   0.890    394
        349.73   0.876     54
    


  • 1H NMR 89.56 MHz
    C5 H12 O 0.04 ml : 0.5 ml CDCl3
    1-pentanol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.63 B 2.35 C 1.57 D 1.35 E 0.91

         Hz     ppm     Int.
    

        329.69   3.682    183
        323.50   3.613    416
        317.19   3.542    247
        210.38   2.350    321
        202.63   2.263     31
        153.69   1.717     49
        151.31   1.690     54
        149.06   1.665     75
        146.81   1.640    154
        144.44   1.613    108
        142.50   1.592    134
        140.13   1.565    251
        139.56   1.559    246
        137.69   1.538    184
        134.63   1.504    247
        133.19   1.488    269
        128.50   1.435    265
        127.25   1.421    286
        124.44   1.390    666
        121.81   1.361    537
        119.31   1.333    474
        117.75   1.315    465
        116.19   1.298    375
        114.06   1.274    291
        112.88   1.261    267
        110.38   1.233    245
        104.75   1.170     66
        104.38   1.166     67
        102.94   1.150     52
        101.25   1.131     45
        100.94   1.128     46
        100.31   1.121     46
         99.75   1.114     49
         98.94   1.105     44
         98.13   1.096     40
         97.75   1.092     39
         96.69   1.080     41
         96.19   1.075     41
         95.63   1.068     41
         94.88   1.060     38
         94.50   1.056     38
         93.56   1.045     36
         87.63   0.979    297
         86.88   0.971    336
         85.25   0.952    247
         81.38   0.909   1000
         75.44   0.843    241
         73.94   0.826    176
         72.44   0.809    100
         71.50   0.799     96
    

in CDCl3



liquid film



4880 A,150M,liquid



1-Pentanol(71-41-0) Raman Atlas of Related Products

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