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(1R,2S)-cis-2-Benzyloxycarbonyl-4,5-dimethylcyclohex-4-ene-1-carboxylic acid
SpectraBase Compound ID ChY4tSvBIUb
InChI InChI=1S/C17H20O4/c1-11-8-14(16(18)19)15(9-12(11)2)17(20)21-10-13-6-4-3-5-7-13/h3-7,14-15H,8-10H2,1-2H3,(H,18,19)/t14-,15+/m1/s1
InChIKey FTTJOTCSTJCZCD-CABCVRRESA-N
Mol Weight 288.34 g/mol
Molecular Formula C17H20O4
Exact Mass 288.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CH6HBdge1bV
Name (1R,2S)-cis-2-Benzyloxycarbonyl-4,5-dimethylcyclohex-4-ene-1-carboxylic acid
Alternate Name(s) (1R,6S)-6-[(benzyloxy)carbonyl]-3,4-dimethyl-3-cyclohexene-1-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20O4
InChI InChI=1S/C17H20O4/c1-11-8-14(16(18)19)15(9-12(11)2)17(20)21-10-13-6-4-3-5-7-13/h3-7,14-15H,8-10H2,1-2H3,(H,18,19)/t14-,15+/m1/s1
InChIKey FTTJOTCSTJCZCD-CABCVRRESA-N
Molecular Weight 288.343 g/mol
SMILES OC([C@]1([C@](CC(=C(C)C1)C)(C(OCc1ccccc1)=O)[H])[H])=O
SPLASH splash10-0pbc-4900000000-221434c56077ee1ba5bc
Source of Spectrum KD-14-3463-22
Wiley ID 1636291