Welcome to chemicalbook!
400-158-6606
Try our best to find the right business for you.
Do not miss inquiry messages Please log in to view all inquiry messages.

Welcome back!

Back ChemicalBook Home>CAS DataBase List>6297-41-2More Spectrum> BUTYL-2-METHYLVALERATE(6297-41-2) IR1

BUTYL-2-METHYLVALERATE(6297-41-2) IR1

Molecular FormulaC10H20O2

Molecular Weight172.26

InChIInChI=1S/C10H20O2/c1-4-6-8-12-10(11)9(3)7-5-2/h9H,4-8H2,1-3H3

InChIKey FMVUGLMJUHFPSJ-UHFFFAOYSA-N

SmilesC(OCCCC)(=O)C(C)CCC


  • Mass

    MS-IW-3808          
    butyl 2-methylvalerate
    C10H20O2            (Mass of molecular ion:    172)
    

       Source Temperature: 240 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          27.0      14.6
          28.0       6.1
          29.0      31.5
          30.0       1.0
          31.0       1.5
          39.0      10.2
          40.0       1.8
          41.0      44.1
          42.0       9.1
          43.0      77.0
          44.0       2.9
          45.0       3.7
          53.0       2.0
          55.0      19.1
          56.0      52.9
          57.0      41.2
          58.0       1.9
          59.0       2.1
          69.0       4.5
          70.0       5.2
          71.0      92.8
          72.0       5.5
          73.0       6.8
          74.0      82.3
          75.0       9.8
          87.0      20.2
          88.0       1.5
          89.0       2.3
          99.0      73.6
         100.0       6.1
         101.0       6.3
         115.0       1.0
         116.0       2.5
         117.0     100.0
         118.0       6.8
         129.0       1.3
         130.0      19.6
         131.0       1.6
         143.0       2.3
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C10 H20 O2 0.05 ml : 0.5 ml CDCl3
    butyl 2-methylvalerate
    ChemicalStructure
        Assign.     Shift(ppm)
    A *1 4.075 B *1 4.070 C 2.436 D *2 1.65 E 1.61 F *2 1.40 G *3 1.39 J *3 1.32 K 1.138 L 0.940 M 0.906

         Hz     ppm     Int.
    

       1634.77   4.091    222
       1633.91   4.089    218
       1628.05   4.074    430
       1627.32   4.072    417
       1621.34   4.057    235
       1620.73   4.056    232
        984.62   2.464     70
        977.54   2.446    117
        970.70   2.429    121
        963.87   2.412     81
        675.78   1.691     33
        669.31   1.675     52
        667.97   1.672     37
        666.75   1.669     43
        666.14   1.667     40
        662.60   1.658     67
        661.50   1.656     64
        660.40   1.653     74
        658.69   1.649     93
        654.91   1.639    138
        652.59   1.633    225
        651.86   1.632    198
        649.17   1.625     94
        647.71   1.621    164
        645.87   1.617    211
        645.14   1.615    229
        643.92   1.612    156
        642.58   1.608    147
        641.11   1.605     65
        640.26   1.603     73
        637.21   1.595    205
        630.49   1.578     98
        573.97   1.437     57
        571.90   1.432     50
        566.53   1.418    173
        565.55   1.416    147
        562.62   1.408     86
        560.79   1.404    112
        559.08   1.399    261
        556.27   1.392    165
        553.34   1.385    129
        551.27   1.380    238
        550.05   1.377    189
        548.83   1.374     96
        546.02   1.367     71
        543.82   1.361    227
        542.36   1.358    127
        537.48   1.345    209
        533.94   1.337     52
        532.96   1.334     55
        530.15   1.327    258
        527.83   1.321     46
        525.76   1.316     77
        525.27   1.315     74
        523.19   1.310    192
        520.87   1.304     77
        520.02   1.302     66
        516.11   1.292     90
        513.92   1.286     72
        507.08   1.269     30
        458.50   1.148   1000
        451.42   1.130    970
        447.02   1.119     43
        386.96   0.969     31
        383.06   0.959    533
        379.88   0.951     46
        375.61   0.940    940
        369.14   0.924    554
        368.29   0.922    556
        362.06   0.906    815
        357.67   0.895     71
        354.86   0.888    380
    

in CDCl3



liquid film



BUTYL-2-METHYLVALERATE(6297-41-2) IR1 Atlas of Related Products

×