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Methyl seco - dehydro - abietate
SpectraBase Compound ID Hd5q3b2xUJD
InChI InChI=1S/C21H32O2/c1-15(2)18-10-6-9-17(14-18)11-12-19-16(3)8-7-13-21(19,4)20(22)23-5/h6,9-10,14-16,19H,7-8,11-13H2,1-5H3/t16-,19+,21-/m0/s1
InChIKey RYOHDILQHQYGGA-SCWSEQNSSA-N
Mol Weight 316.5 g/mol
Molecular Formula C21H32O2
Exact Mass 316.24023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8EHmcoBnt3t
Name Methyl seco - dehydro - abietate
CAS Registry Number 19556-81-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O2
InChI InChI=1S/C21H32O2/c1-15(2)18-10-6-9-17(14-18)11-12-19-16(3)8-7-13-21(19,4)20(22)23-5/h6,9-10,14-16,19H,7-8,11-13H2,1-5H3/t16-,19+,21-/m0/s1
InChIKey RYOHDILQHQYGGA-SCWSEQNSSA-N
Molecular Weight 316.485 g/mol
SMILES [C@@]1([C@](CCc2cc(C(C)C)ccc2)([C@](CCC1)(C)[H])[H])(C(=O)OC)C
SPLASH splash10-0f7p-7900000000-c34eeb6538dbae8ac9d8
Source of Spectrum Va-0-0-0
Synonyms 2.beta. -[2'(m-isopropylphenyl)ethyl]- 1. beta., 3.alpha.-dimethyl-cyclohexane-carboxylate
Wiley ID 738860