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4-Cyclohexene-1,2-dicarboxylic acid, 4-(1-oxo-3-phenyl-2-propenyl)-, dimethyl ester, cis-
SpectraBase Compound ID B8VgtESjdnZ
InChI InChI=1S/C19H20O5/c1-23-18(21)15-10-9-14(12-16(15)19(22)24-2)17(20)11-8-13-6-4-3-5-7-13/h3-9,11,15-16H,10,12H2,1-2H3/b11-8+/t15-,16+/m1/s1
InChIKey OTYBPIKOUDCLHE-IRZHHCKBSA-N
Mol Weight 328.36 g/mol
Molecular Formula C19H20O5
Exact Mass 328.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JCs9sbRx26B
Name 4-Cyclohexene-1,2-dicarboxylic acid, 4-(1-oxo-3-phenyl-2-propenyl)-, dimethyl ester, cis-
CAS Registry Number 112091-52-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H20O5
InChI InChI=1S/C19H20O5/c1-23-18(21)15-10-9-14(12-16(15)19(22)24-2)17(20)11-8-13-6-4-3-5-7-13/h3-9,11,15-16H,10,12H2,1-2H3/b11-8+/t15-,16+/m1/s1
InChIKey OTYBPIKOUDCLHE-IRZHHCKBSA-N
Molecular Weight 328.364 g/mol
SMILES [C@@]1([C@](C(=O)OC)(CC=C(C1)C(\C=C\c1ccccc1)=O)[H])(C(=O)OC)[H]
SPLASH splash10-0pe9-4972000000-4addf3574b8798d08fdb
Source of Spectrum AJ-60-331-9
Synonyms cis-1,2-di(methoxycarbonyl)-4-((e-2-phenylethenyl)carbonyl)-4-cyclohexene Dimethyl (1R,2S)-4-[(2E)-3-phenyl-2-propenoyl]-4-cyclohexene-1,2-dicarboxylate
Wiley ID 1326360