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Methyl 2.alpha, - 9,10 - seco - dehydro - abietate
SpectraBase Compound ID 11KHVj4DpNN
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-PBEJRMEISA-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 8CByrvIirUA
Name Methyl 2.alpha, - 9,10 - seco - dehydro - abietate
CAS Registry Number 17393-03-2
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-PBEJRMEISA-N
Molecular Weight 316.485 g/mol
SMILES [C@@]1([C@@](CCc2cc(C(C)C)ccc2)([C@](C)(CCC1)[H])[H])(C(=O)OC)C
SPLASH splash10-000t-3900000000-85d3cc2317575f55fc34
Source of Spectrum Va-0-0-0
Synonyms (1S,2S3R)-methyl 2-[2'-(m-isopropylphenyl)ethyl]-1,3-dimethylcyclohexane-carboxylate Methyl (1S,2S,3R)-2-[2-(3-isopropylphenyl)ethyl]-1,3-dimethylcyclohexanecarboxylate Methyl 2-[2'-(m-isopropylphenyl)ethyl]-1,3-dimethylcyclohexane-carboxylate Methyl 2.beta.-[2'-(m-isopropylphenyl)ethyl]-1.beta.,3.alpha.-dimethyl-cyclohexane-carboxylate
Wiley ID 738959