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Methyl x,x,x - abietatrienoate
SpectraBase Compound ID Ehq6LahvYwe
InChI InChI=1S/C21H30O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h7,9,13-14,18H,6,8,10-12H2,1-5H3
InChIKey PGZCJOPTDHWYES-UHFFFAOYSA-N
Mol Weight 314.47 g/mol
Molecular Formula C21H30O2
Exact Mass 314.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JZI1SCxhTjY
Name Methyl dehydroabietate
CAS Registry Number 1235-74-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30O2
GC Column J&W DB-5 (30 m x 0.25 mm ID x 0.25 ??m film thickness)
GC Oven Program 60 ??C to 246 ??C at 3 ??C/min.
InChI InChI=1S/C21H30O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h7,9,13-14,18H,6,8,10-12H2,1-5H3
InChIKey PGZCJOPTDHWYES-UHFFFAOYSA-N
Molecular Weight 314.469 g/mol
SMILES CC12C(C(C(OC)=O)(C)CCC2)CCc2c1ccc(c2)C(C)C
SPLASH splash10-000i-2691000000-3de0897f1c26bc0b8f33
Source PICEA ABIES, ME ESTERS OF DITERPENE ACIDS
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID 1886701