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Back ChemicalBook Home>CAS DataBase List>3564-98-5More Spectrum> TRANS-P-MENTHANE-3,8-DIOL(3564-98-5) MS

TRANS-P-MENTHANE-3,8-DIOL(3564-98-5) MS

Molecular FormulaC10H20O2

Molecular Weight172.26

InChIInChI=1/C10H20O2/c1-7-4-5-8(9(11)6-7)10(2,3)12/h7-9,11-12H,4-6H2,1-3H3/t7-,8-,9-/s3

InChIKey LMXFTMYMHGYJEI-ALTNPLPDNA-N

SmilesC(O)(C)(C)[C@@H]1CC[C@@H](C)C[C@H]1O |&1:4,7,10,r|


  • Mass

    MS-IW-6153          
    (1alpha,3alpha,4beta)-p-menthane-3,8-diol
    C10H20O2            (Mass of molecular ion:    172)
    

       Source Temperature: 110 °C
       Sample Temperature: 100 °C
       Direct, 75 eV
    

          18.0       1.7
          27.0       3.0
          29.0       4.2
          31.0       3.8
          39.0       4.0
          41.0      12.9
          42.0       1.6
          43.0      31.3
          44.0       1.2
          45.0       1.0
          53.0       3.0
          54.0      26.4
          55.0      18.6
          56.0       3.9
          57.0       4.0
          58.0       1.0
          59.0      95.2
          60.0       3.6
          61.0       1.6
          66.0       1.3
          67.0      17.2
          68.0      19.1
          69.0      11.5
          70.0       2.5
          71.0       5.3
          77.0      13.3
          79.0       2.8
          80.0       1.6
          81.0     100.0
          82.0       7.9
          83.0       2.7
          84.0       3.1
          85.0       1.2
          93.0       3.2
          94.0       1.5
          95.0      14.7
          96.0      85.8
          97.0       8.7
          98.0       2.2
         109.0       3.0
         110.0       3.6
         111.0       4.3
         112.0       2.3
         121.0       5.8
         136.0       2.6
         137.0       2.7
         139.0      11.8
         140.0       1.2
         154.0       4.2
         155.0       3.4
         157.0       5.5
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C10 H20 O2 0.040 g : 0.5 ml CDCl3
    (1alpha,3alpha,4beta)-p-menthane-3,8-diol
    ChemicalStructure
        Assign.     Shift(ppm)
    A *1 4.60 B *1 4.37 C 3.709 D 1.934 E 1.69 F 1.65 G 1.44 J 1.39 K 1.212 L 1.046 M 0.92 N 0.916 P 0.91 ASSIGNED BY H-H COSY

         Hz     ppm     Int.
    

       1484.38   3.715     30
       1480.35   3.705     30
        670.90   1.679     38
        667.48   1.671     30
        484.62   1.213   1000
        422.85   1.059     37
        421.75   1.056     54
        410.89   1.029     49
        369.26   0.924    349
        365.23   0.914     57
        362.79   0.908    309
        359.74   0.901     62
    

in CDCl3



KBr disc



nujol mull



TRANS-P-MENTHANE-3,8-DIOL(3564-98-5) MS Atlas of Related Products

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