SpectraBase Spectrum ID |
9Rk2GWSwe3D |
Name |
Benzenebutanamide, N-phenyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
239.131014170 u |
Formula |
C16H17NO |
InChI |
InChI=1S/C16H17NO/c18-16(17-15-11-5-2-6-12-15)13-7-10-14-8-3-1-4-9-14/h1-6,8-9,11-12H,7,10,13H2,(H,17,18) |
InChIKey |
UTROGRSPCLKGHV-UHFFFAOYSA-N |
Molecular Weight |
239.318 g/mol |
SMILES |
C1=CC(CCCC(=O)NC2=CC=CC=C2)=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.899848 |