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N-(3-phenylprop-2-ynyl)benzamide

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

N-(3-phenylprop-2-ynyl)benzamide
SpectraBase Compound ID I8SkyZEbwv4
InChI InChI=1S/C16H13NO/c18-16(15-11-5-2-6-12-15)17-13-7-10-14-8-3-1-4-9-14/h1-6,8-9,11-12H,13H2,(H,17,18)
InChIKey WGKREOIZCZCAIA-UHFFFAOYSA-N
Mol Weight 235.29 g/mol
Molecular Formula C16H13NO
Exact Mass 235.099714 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6PKdJnkDkWP
Name N-(3-Phenylprop-2-ynyl)benzamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 235.099714042 u
Formula C16H13NO
InChI InChI=1S/C16H13NO/c18-16(15-11-5-2-6-12-15)17-13-7-10-14-8-3-1-4-9-14/h1-6,8-9,11-12H,13H2,(H,17,18)
InChIKey WGKREOIZCZCAIA-UHFFFAOYSA-N
Molecular Weight 235.286 g/mol
SMILES C(C1=CC=CC=C1)(=O)NCC#CC=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.907932