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3-Phenylcyclohexa-1,4-diene-1,2-dicarboxylic acid dimethyl ester
SpectraBase Compound ID 4cgzSFllVky
InChI InChI=1S/C16H16O4/c1-19-15(17)13-10-6-9-12(14(13)16(18)20-2)11-7-4-3-5-8-11/h3-9,12H,10H2,1-2H3
InChIKey SYIOBIMVTPAFTQ-UHFFFAOYSA-N
Mol Weight 272.3 g/mol
Molecular Formula C16H16O4
Exact Mass 272.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 89ujRxaRie
Name 3-Phenylcyclohexa-1,4-diene-1,2-dicarboxylic acid dimethyl ester
Alternate Name(s) Dimethyl 3-phenylcyclohexa-1,4-diene-1,2-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16O4
InChI InChI=1S/C16H16O4/c1-19-15(17)13-10-6-9-12(14(13)16(18)20-2)11-7-4-3-5-8-11/h3-9,12H,10H2,1-2H3
InChIKey SYIOBIMVTPAFTQ-UHFFFAOYSA-N
Molecular Weight 272.300 g/mol
SMILES C1(=C(C(=O)OC)CC=CC1c1ccccc1)C(=O)OC
SPLASH splash10-0006-0970000000-f375a6c2215dace6cc60
Source of Spectrum KC-0-1675-13
Wiley ID 822734