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2-(1-cyclohepta-2,4-dienyl)propanedioic acid dimethyl ester
SpectraBase Compound ID I33DKw8CVNr
InChI InChI=1S/C12H16O4/c1-15-11(13)10(12(14)16-2)9-7-5-3-4-6-8-9/h3-5,7,9-10H,6,8H2,1-2H3
InChIKey CAUPMMJWOAPKJY-UHFFFAOYSA-N
Mol Weight 224.26 g/mol
Molecular Formula C12H16O4
Exact Mass 224.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EgnU5PaENPC
Name 2-(1-cyclohepta-2,4-dienyl)propanedioic acid dimethyl ester
Alternate Name(s) 2-cyclohepta-2,4-dien-1-ylmalonic acid dimethyl ester Dimethyl 2-cyclohepta-2,4-dien-1-ylpropanedioate
CAS Registry Number 91550-40-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O4
InChI InChI=1S/C12H16O4/c1-15-11(13)10(12(14)16-2)9-7-5-3-4-6-8-9/h3-5,7,9-10H,6,8H2,1-2H3
InChIKey CAUPMMJWOAPKJY-UHFFFAOYSA-N
Molecular Weight 224.256 g/mol
SMILES C(C(=O)OC)(C(=O)OC)C1C=CC=CCC1
SPLASH splash10-002f-9500000000-48c4f034067a2c2dc40a
Source of Spectrum C-106-6072-0
Wiley ID 1224934