SpectraBase Spectrum ID |
1tQJX6SRIU4 |
Name |
Benzamide, 4-chloro-N-(2-butyl)-N-(3-methylbutyl)- |
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/c1-5-13(4)18(11-10-12(2)3)16(19)14-6-8-15(17)9-7-14/h6-9,12-13H,5,10-11H2,1-4H3 |
InChIKey |
IRBQSDOVAZHCBA-UHFFFAOYSA-N |
SMILES |
C(=O)(N(CCC(C)C)C(CC)C)C=1C=CC(=CC1)Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.827437 |