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Methyl 2-[2'-oxo-3'-butenyl-(4'-phenyl)]benzoate

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

Methyl 2-[2'-oxo-3'-butenyl-(4'-phenyl)]benzoate
SpectraBase Compound ID BUByUC8kpAc
InChI InChI=1S/C18H16O3/c1-21-18(20)17-10-6-5-9-15(17)13-16(19)12-11-14-7-3-2-4-8-14/h2-12H,13H2,1H3/b12-11+
InChIKey YJNNBKAMGKBZBS-VAWYXSNFSA-N
Mol Weight 280.32 g/mol
Molecular Formula C18H16O3
Exact Mass 280.109944 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KfIqnYRHGfh
Name Methyl 2-[2'-oxo-3'-butenyl-(4'-phenyl)]benzoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 280.109944372 u
Formula C18H16O3
InChI InChI=1S/C18H16O3/c1-21-18(20)17-10-6-5-9-15(17)13-16(19)12-11-14-7-3-2-4-8-14/h2-12H,13H2,1H3/b12-11+
InChIKey YJNNBKAMGKBZBS-VAWYXSNFSA-N
SMILES C(C=1C(CC(\C=C\C2=CC=CC=C2)=O)=CC=CC1)(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.853718