SpectraBase Spectrum ID |
7sVHD7D6wq2 |
Name |
Benzamide, 2-chloro-N-benzyl-N-pentyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
315.138992031 u |
Formula |
C19H22ClNO |
InChI |
InChI=1S/C19H22ClNO/c1-2-3-9-14-21(15-16-10-5-4-6-11-16)19(22)17-12-7-8-13-18(17)20/h4-8,10-13H,2-3,9,14-15H2,1H3 |
InChIKey |
FYVFQGKTVDDCSH-UHFFFAOYSA-N |
Molecular Weight |
315.844 g/mol |
SMILES |
C(N(CCCCC)CC1=CC=CC=C1)(=O)C=1C(Cl)=CC=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.890893 |