SpectraBase Spectrum ID |
3cu7z9lgMpa |
Name |
Benzamide, 2-chloro-N-(2-pentyl)-N-butyl- |
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/c1-4-6-12-18(13(3)9-5-2)16(19)14-10-7-8-11-15(14)17/h7-8,10-11,13H,4-6,9,12H2,1-3H3 |
InChIKey |
QRUPJSYQIQQNDH-UHFFFAOYSA-N |
SMILES |
C(=O)(N(CCCC)C(CCC)C)C1=C(C=CC=C1)Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.947621 |