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4-Cyclohexene-1,2-dicarboxylic acid, 4-(1-phenylethenyl)-, dimethyl ester, trans-
SpectraBase Compound ID BNJbL9DQ2Qz
InChI InChI=1S/C18H20O4/c1-12(13-7-5-4-6-8-13)14-9-10-15(17(19)21-2)16(11-14)18(20)22-3/h4-10,14-16H,1,11H2,2-3H3/t14-,15-,16?/m0/s1
InChIKey NBYLEHXSNSZDCS-KSCSMHSMSA-N
Mol Weight 300.35 g/mol
Molecular Formula C18H20O4
Exact Mass 300.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BZlUChIiAAt
Name 4-Cyclohexene-1,2-dicarboxylic acid, 4-(1-phenylethenyl)-, dimethyl ester, trans-
Alternate Name(s) 1-(1-Phenylethenyl)-4,5-trans-di(methoxycarbonyl)-2-cyclohexene Dimethyl (2S,5R)-5-(1-phenylvinyl)-3-cyclohexene-1,2-dicarboxylate
CAS Registry Number 107146-86-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20O4
InChI InChI=1S/C18H20O4/c1-12(13-7-5-4-6-8-13)14-9-10-15(17(19)21-2)16(11-14)18(20)22-3/h4-10,14-16H,1,11H2,2-3H3/t14-,15-,16?/m0/s1
InChIKey NBYLEHXSNSZDCS-KSCSMHSMSA-N
Molecular Weight 300.354 g/mol
SMILES C1([C@](C=C[C@@](C1)(C(c1ccccc1)=C)[H])(C(=O)OC)[H])C(=O)OC
SPLASH splash10-0f89-0930000000-401183b3c2fdc7e437ce
Source of Spectrum AJ-59-2457-16
Wiley ID 1303065