Welcome to chemicalbook!
+1 (818) 612-2111
Inquriy
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>1113-21-9More Spectrum> Geranyl linalool(1113-21-9) IR1

Geranyl linalool(1113-21-9) IR1

Product NameGeranyl linalool

CAS1113-21-9

Molecular FormulaC20H34O

Molecular Weight290.48

InChIInChI=1S/C20H34O/c1-7-20(6,21)16-10-15-19(5)14-9-13-18(4)12-8-11-17(2)3/h7,11,13,15,21H,1,8-10,12,14,16H2,2-6H3/b18-13+,19-15+

InChIKey IQDXAJNQKSIPGB-HQSZAHFGSA-N

SmilesC=CC(C)(O)CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/C


  • Mass

    MS-NW-1497          
    geranyl-linalool
    C20H34O             (Mass of molecular ion:    290)
    

       Source Temperature: 250 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          18.0       4.8
          27.0       5.6
          28.0       3.4
          29.0       7.3
          39.0       7.4
          40.0       2.2
          41.0      53.0
          42.0       2.8
          43.0      10.8
          51.0       1.2
          53.0      10.4
          54.0       1.1
          55.0      24.5
          56.0       1.6
          57.0       3.9
          65.0       3.2
          66.0       1.2
          67.0      16.2
          68.0       9.3
          69.0     100.0
          70.0       6.1
          71.0       7.7
          77.0       8.2
          78.0       1.6
          79.0      14.1
          80.0       5.8
          81.0      48.4
          82.0       6.7
          83.0       5.6
          91.0      10.0
          92.0       4.3
          93.0      36.7
          94.0       6.3
          95.0      16.3
          96.0       2.2
          97.0       2.4
         105.0       9.5
         106.0       2.7
         107.0      17.1
         108.0       3.6
         109.0      10.4
         110.0       1.4
         111.0       1.1
         117.0       1.0
         119.0      12.8
         120.0       7.2
         121.0       9.7
         122.0       3.3
         123.0       5.5
         131.0       1.3
         132.0       3.3
         133.0       8.5
         134.0       6.1
         135.0       9.3
         136.0       3.9
         137.0       5.0
         145.0       1.8
         146.0       1.4
         147.0       5.2
         148.0       2.5
         149.0       1.8
         159.0       2.4
         161.0       5.7
         162.0       1.4
         163.0       1.0
         175.0       1.3
         177.0       1.1
         187.0       2.2
         189.0       2.0
         190.0       1.2
         191.0       1.3
         203.0       2.8
         204.0       1.7
         229.0       1.1
         272.0       3.3
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C20 H34 O 0.04 ml : 0.5 ml CDCl3
    geranyl-linalool
    ChemicalStructure
        Assign.     Shift(ppm)
    A 5.90 B 5.18 C 5.12 D 5.07 E 2.26 to 1.80 F *1 1.69 G *1 1.68 J *1 1.60 K 1.28

         Hz     ppm     Int.
    

        534.56   5.969     73
        527.69   5.893     96
        526.94   5.884     66
        517.19   5.775    122
        516.44   5.767     88
        475.13   5.306    113
        473.50   5.287    164
        462.81   5.168     63
        459.81   5.135    126
        458.31   5.118    260
        457.88   5.113    280
        456.25   5.095    251
        453.38   5.063     87
        453.00   5.059     85
        452.13   5.049     72
        451.50   5.042     72
        447.81   5.001    120
        446.25   4.983    113
        187.63   2.096    124
        183.81   2.053    331
        180.63   2.017    555
        180.13   2.012    559
        179.75   2.008    552
        173.25   1.935     75
        172.06   1.922     85
        171.50   1.915     81
        150.94   1.686    689
        150.00   1.675    695
        146.50   1.636    193
        143.13   1.599   1000
        114.31   1.277    982
    

liquid film



4880 A,200 M,liquid



Geranyl linalool(1113-21-9) IR1 Atlas of Related Products

×