629-83-4

Methyl melissate(629-83-4) IR1

Molecular FormulaC31H62O2

Molecular Weight466.82

InChIInChI=1S/C31H62O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31(32)33-2/h3-30H2,1-2H3

InChIKey BIRUBGLRQLAEFF-UHFFFAOYSA-N

SmilesC(OC)(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCC

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¹HNMR

IR1

90 MHz in CDCl3

Methyl melissate(629-83-4) IR1

¹H NMR	89.56 MHz
C₃₁ H₆₂ O₂	0.026 g : 0.5 ml CDCl₃
methyl triacontanoate

    Assign.     Shift(ppm)

      A             3.662
      B             2.29
      C             1.62
      D             1.26
      E             0.89

     Hz     ppm     Int.

    328.00   3.663    114
    112.44   1.256   1000

KBr disc

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