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Methyl 5-phenylcyclohex-3-enone-4-carboxylate

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

Methyl 5-phenylcyclohex-3-enone-4-carboxylate
SpectraBase Compound ID EvNwDVyCWXq
InChI InChI=1S/C14H14O3/c1-17-14(16)12-8-7-11(15)9-13(12)10-5-3-2-4-6-10/h2-6,8,13H,7,9H2,1H3
InChIKey KDEHJBYTWHSKHH-UHFFFAOYSA-N
Mol Weight 230.26 g/mol
Molecular Formula C14H14O3
Exact Mass 230.094294 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8SE2KGelR6r
Name Methyl 5-phenylcyclohex-3-enone-4-carboxylate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 230.094294308 u
Formula C14H14O3
InChI InChI=1S/C14H14O3/c1-17-14(16)12-8-7-11(15)9-13(12)10-5-3-2-4-6-10/h2-6,8,13H,7,9H2,1H3
InChIKey KDEHJBYTWHSKHH-UHFFFAOYSA-N
Molecular Weight 230.263 g/mol
SMILES C=1(C(CC(CC1)=O)C=1C=CC=CC1)C(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.954218