SpectraBase Spectrum ID |
1ewbM7L2WAD |
Name |
Benzamide, 2-chloro-N-benzyl-N-isobutyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
301.123341967 u |
Formula |
C18H20ClNO |
InChI |
InChI=1S/C18H20ClNO/c1-14(2)12-20(13-15-8-4-3-5-9-15)18(21)16-10-6-7-11-17(16)19/h3-11,14H,12-13H2,1-2H3 |
InChIKey |
GXHVNHXGSGAMRZ-UHFFFAOYSA-N |
SMILES |
C(N(CC(C)C)CC1=CC=CC=C1)(=O)C=1C(Cl)=CC=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.850536 |