SpectraBase Spectrum ID |
H4nVU6qRlNk |
Name |
Benzamide, 2-chloro-N-pentyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
225.092041838 u |
Formula |
C12H16ClNO |
InChI |
InChI=1S/C12H16ClNO/c1-2-3-6-9-14-12(15)10-7-4-5-8-11(10)13/h4-5,7-8H,2-3,6,9H2,1H3,(H,14,15) |
InChIKey |
YLXJFDPUQQCZDP-UHFFFAOYSA-N |
Molecular Weight |
225.719 g/mol |
SMILES |
C(NCCCCC)(=O)C=1C=CC=CC1Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.901151 |