SpectraBase Spectrum ID |
9AAhDblVugP |
Name |
Propionamide, N-allyl-N-isobutyl-3-phenyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
245.177964364 u |
Formula |
C16H23NO |
InChI |
InChI=1S/C16H23NO/c1-4-12-17(13-14(2)3)16(18)11-10-15-8-6-5-7-9-15/h4-9,14H,1,10-13H2,2-3H3 |
InChIKey |
RGTSGEPELBCTNU-UHFFFAOYSA-N |
Molecular Weight |
245.366 g/mol |
SMILES |
C(N(CC(C)C)CC=C)(=O)CCC1=CC=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.929749 |