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3-Phenyl-N-(3-phenylprop-2-yn-1-yl)propiolamide

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

3-Phenyl-N-(3-phenylprop-2-yn-1-yl)propiolamide
SpectraBase Compound ID 4GcgnmMkE6m
InChI InChI=1S/C18H13NO/c20-18(14-13-17-10-5-2-6-11-17)19-15-7-12-16-8-3-1-4-9-16/h1-6,8-11H,15H2,(H,19,20)
InChIKey TVVMBZYBMKWNDU-UHFFFAOYSA-N
Mol Weight 259.31 g/mol
Molecular Formula C18H13NO
Exact Mass 259.099714 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KmJkkt6Svxj
Name 3-Phenyl-N-(3-phenylprop-2-yn-1-yl)propiolamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 259.099714042 u
Formula C18H13NO
InChI InChI=1S/C18H13NO/c20-18(14-13-17-10-5-2-6-11-17)19-15-7-12-16-8-3-1-4-9-16/h1-6,8-11H,15H2,(H,19,20)
InChIKey TVVMBZYBMKWNDU-UHFFFAOYSA-N
Molecular Weight 259.308 g/mol
SMILES C=1(C=CC=CC1)C#CCNC(C#CC1=CC=CC=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.924338