SpectraBase Spectrum ID |
1qR2TgYZmK2 |
Name |
Benzamide, 2-chloro-N-(2-butyl)-N-pentyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
281.154642096 u |
Formula |
C16H24ClNO |
InChI |
InChI=1S/C16H24ClNO/c1-4-6-9-12-18(13(3)5-2)16(19)14-10-7-8-11-15(14)17/h7-8,10-11,13H,4-6,9,12H2,1-3H3 |
InChIKey |
LYLHMMVIEPOQJI-UHFFFAOYSA-N |
SMILES |
C(N(CCCCC)C(CC)C)(=O)C=1C(Cl)=CC=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.888877 |