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Dimethyl 3-ethenylcyclohexa-1,4-diene-1,2-dicarboxylate

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

Dimethyl 3-ethenylcyclohexa-1,4-diene-1,2-dicarboxylate
SpectraBase Compound ID 5SeXmBXAmQv
InChI InChI=1S/C12H14O4/c1-4-8-6-5-7-9(11(13)15-2)10(8)12(14)16-3/h4-6,8H,1,7H2,2-3H3
InChIKey SZGBUEBHUQQAQN-UHFFFAOYSA-N
Mol Weight 222.24 g/mol
Molecular Formula C12H14O4
Exact Mass 222.089209 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CisLRskIRwS
Name Dimethyl 3-ethenylcyclohexa-1,4-diene-1,2-dicarboxylate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 222.089208927 u
Formula C12H14O4
InChI InChI=1S/C12H14O4/c1-4-8-6-5-7-9(11(13)15-2)10(8)12(14)16-3/h4-6,8H,1,7H2,2-3H3
InChIKey SZGBUEBHUQQAQN-UHFFFAOYSA-N
Molecular Weight 222.240 g/mol
SMILES C1(=C(C(=O)OC)CC=CC1C=C)C(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.968285