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Methyl 2.beta. - 9,10 - seco - dehydro - abietate
SpectraBase Compound ID 7tGVVwyZqCf
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-/m1/s1
InChIKey RYOHDILQHQYGGA-OZOXKJRCSA-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 CgbDRzhUf3l
Name Methyl 2.beta. - 9,10 - 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-/m1/s1
InChIKey RYOHDILQHQYGGA-OZOXKJRCSA-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 splash10-000y-3911000000-673b15ab602dec2a651a
Source of Spectrum Va-0-0-0
Synonyms (1R,2R,3R)-1,3-dimethyl-2-[2-(3-propan-2-ylphenyl)ethyl]-1-cyclohexanecarboxylic acid methyl ester Methyl (1R,2R,3R)-2-[2-(3-isopropylphenyl)ethyl]-1,3-dimethyl-cyclohexanecarboxylate Methyl (1R,2R,3R)-1,3-dimethyl-2-[2-(3-propan-2-ylphenyl)ethyl]cyclohexane-1-carboxylate
Wiley ID 740759