For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(3R,6S)-3-methyl-6-phenyl-cyclohexa-1,4-diene-1,2-dicarboxylic acid dimethyl ester
SpectraBase Compound ID A8aaGNRstck
InChI InChI=1S/C17H18O4/c1-11-9-10-13(12-7-5-4-6-8-12)15(17(19)21-3)14(11)16(18)20-2/h4-11,13H,1-3H3/t11-,13+/m1/s1
InChIKey ADZMELOGZJOKJT-YPMHNXCESA-N
Mol Weight 286.33 g/mol
Molecular Formula C17H18O4
Exact Mass 286.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID FBPTFBgAvXA
Name (3R,6S)-3-methyl-6-phenyl-cyclohexa-1,4-diene-1,2-dicarboxylic acid dimethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18O4
InChI InChI=1S/C17H18O4/c1-11-9-10-13(12-7-5-4-6-8-12)15(17(19)21-3)14(11)16(18)20-2/h4-11,13H,1-3H3/t11-,13+/m1/s1
InChIKey ADZMELOGZJOKJT-YPMHNXCESA-N
Molecular Weight 286.327 g/mol
SMILES C1(=C(C(=O)OC)[C@](C)(C=C[C@]1(c1ccccc1)[H])[H])C(=O)OC
SPLASH splash10-0uds-1890000000-20fef2a92a1e5d3fb7a3
Source of Spectrum KC-0-2887-22
Synonyms Dimethyl (3R,6S)-3-methyl-6-phenyl-cyclohexa-1,4-diene-1,2-dicarboxylate (3R,6S)-3-methyl-6-phenylcyclohexa-1,4-diene-1,2-dicarboxylic acid dimethyl ester
Wiley ID 823608