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(4-Methylphenyl) 3-phenylprop-2-ynoate

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

(4-Methylphenyl) 3-phenylprop-2-ynoate
SpectraBase Compound ID 7PyiWyXFd58
InChI InChI=1S/C16H12O2/c1-13-7-10-15(11-8-13)18-16(17)12-9-14-5-3-2-4-6-14/h2-8,10-11H,1H3
InChIKey MDZSDTBQPQPGPG-UHFFFAOYSA-N
Mol Weight 236.27 g/mol
Molecular Formula C16H12O2
Exact Mass 236.08373 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID K91d697kKha
Name (4-Methylphenyl) 3-phenylprop-2-ynoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 236.083729624 u
Formula C16H12O2
InChI InChI=1S/C16H12O2/c1-13-7-10-15(11-8-13)18-16(17)12-9-14-5-3-2-4-6-14/h2-8,10-11H,1H3
InChIKey MDZSDTBQPQPGPG-UHFFFAOYSA-N
Molecular Weight 236.270 g/mol
SMILES C(#CC=1C=CC=CC1)C(OC=1C=CC(=CC1)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.927129