SpectraBase Spectrum ID |
3ljyVu91S41 |
Name |
N-Butyl-3'-chlorocarbanilide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
302.118590939 u |
Formula |
C17H19ClN2O |
InChI |
InChI=1S/C17H19ClN2O/c1-2-3-12-20(16-10-5-4-6-11-16)17(21)19-15-9-7-8-14(18)13-15/h4-11,13H,2-3,12H2,1H3,(H,19,21) |
InChIKey |
KBSAXRYDENBBJM-UHFFFAOYSA-N |
SMILES |
N(C1=CC=CC(=C1)Cl)C(N(C=1C=CC=CC1)CCCC)=O |
Spectrum/Structure Validation Score (Raman) |
0.834499 |