SpectraBase Spectrum ID |
VPXIn2TRGX |
Name |
Benzamide, 2-chloro-N-(2-pentyl)-N-pentyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
295.170292160 u |
Formula |
C17H26ClNO |
InChI |
InChI=1S/C17H26ClNO/c1-4-6-9-13-19(14(3)10-5-2)17(20)15-11-7-8-12-16(15)18/h7-8,11-12,14H,4-6,9-10,13H2,1-3H3 |
InChIKey |
ZZAPZDTTWDQGIH-UHFFFAOYSA-N |
Molecular Weight |
295.854 g/mol |
SMILES |
C(=O)(N(CCCCC)C(CCC)C)C1=C(C=CC=C1)Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.916553 |