SpectraBase Spectrum ID |
3LE1odKgucG |
Name |
Propanamide, 3-phenyl-N-ethyl-N-3-methylbutyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
247.193614428 u |
Formula |
C16H25NO |
InChI |
InChI=1S/C16H25NO/c1-4-17(13-12-14(2)3)16(18)11-10-15-8-6-5-7-9-15/h5-9,14H,4,10-13H2,1-3H3 |
InChIKey |
KLSVTLNNYVFZQX-UHFFFAOYSA-N |
Molecular Weight |
247.382 g/mol |
SMILES |
C(C(=O)N(CCC(C)C)CC)CC=1C=CC=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.88314 |