isomer of methyl seco - dehydroabietate - Optional[MS (GC)] - Spectrum

SpectraBase Compound ID	21zs5JO9KBX
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-NBHGPNQESA-N Google Search
Mol Weight	316.5 g/mol
Molecular Formula	C21H32O2
Exact Mass	316.24023 g/mol

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SpectraBase Spectrum ID	HpAoogbgF4S
Name	isomer of methyl seco - dehydroabietate
Alternate Name(s)	Cyclohexanecarboxylic acid, 1,3-dimethyl-2-[2-[3-(1-methylethyl)phenyl]ethyl]-, methyl ester, [1R-(1.alpha.,2.alpha.,3.alpha.)]- . isomer of (1-alpha,2-alpha,3-alpha)-1,3-dimethyl-2-[2-[3-(1-methylethyl)phenyl]ethyl]-cyclohexanecarboxylic acid, methyl ester 2S-(2'(m-isopropylphenyl)ethyl)-1r, 3S-dimethylcyclohexanecarboxylate methyl ester 2S-[2'(m-isopropylphenyl)ethyl]-1R,3S-dimethylcyclo- hexane-carboxylate Cyclohexanecarboxylic acid, 2-(m-isopropylphenethyl)-1,3-dimethyl-, methyl ester, (-)- Methyl seco-dehydroabietate isomer Methyl (1R,2S,3S)-2-[2-(3-isopropylphenyl)ethyl]-1,3-dimethylcyclohexanecarboxylate Methyl 2S-(2'(m-isopropylphenyl)ethyl)-1r,3S-dimethylcyclohexanecarboxylate Methyl cis-secopimarate Methyl seco-dehydroabietate [1R-(1-alpha,2-alpha,3-alpha)]-1,3-dimethyl-2-[2-[3-(1-methylethyl)phenyl]ethyl]-cyclohexanecarboxylic acid, methyl ester
CAS Registry Number	35482-10-1
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-NBHGPNQESA-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	splash10-0feb-5900000000-f86e7c1aea2f9ff2f416
Source of Spectrum	EP-0-319-0
Wiley ID	1317223