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Methyl 3-(2-phenylethenyl)benzoate

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

Methyl 3-(2-phenylethenyl)benzoate
SpectraBase Compound ID 4fkU3TMKCoA
InChI InChI=1S/C16H14O2/c1-18-16(17)15-9-5-8-14(12-15)11-10-13-6-3-2-4-7-13/h2-12H,1H3/b11-10+
InChIKey QACXYHVJLXFBFO-ZHACJKMWSA-N
Mol Weight 238.29 g/mol
Molecular Formula C16H14O2
Exact Mass 238.09938 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7heNMOwckMB
Name Methyl 3-(2-phenylethenyl)benzoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 238.099379689 u
Formula C16H14O2
InChI InChI=1S/C16H14O2/c1-18-16(17)15-9-5-8-14(12-15)11-10-13-6-3-2-4-7-13/h2-12H,1H3/b11-10+
InChIKey QACXYHVJLXFBFO-ZHACJKMWSA-N
Molecular Weight 238.286 g/mol
SMILES C(C=1C=C(\C=C\C2=CC=CC=C2)C=CC1)(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.948255