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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 JFUc1e2tQ80
Name Methyl dehydroabietate
CAS Registry Number 1235-74-1
Classification Chemical
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 314.224580204 u
Formula C21H30O2
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
Ionization Type Electron Ionization (EI)
Molecular Weight 314.469 g/mol
Nominal Mass 314 u
Quality 939
Retention Index 2350
SMILES C12C(C=3C(CC2)=CC(=CC3)C(C)C)(CCCC1(C(OC)=O)C)C
SPLASH splash10-000i-4980000000-75c487002153861a529a
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Methyl(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate
Technique GC/MS
Wiley ID DD2024_030132