SpectraBase Spectrum ID |
Gk01WevgnKm |
Name |
6'-Chloro-p-tolu-o-toluidide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
259.076391774 u |
Formula |
C15H14ClNO |
InChI |
InChI=1S/C15H14ClNO/c1-10-6-8-12(9-7-10)15(18)17-14-11(2)4-3-5-13(14)16/h3-9H,1-2H3,(H,17,18) |
InChIKey |
QSQQSOFJAGBQHA-UHFFFAOYSA-N |
Molecular Weight |
259.736 g/mol |
SMILES |
N(C(C1=CC=C(C=C1)C)=O)C=1C(=CC=CC1Cl)C |
Spectrum/Structure Validation Score (Raman) |
0.818704 |