| SpectraBase Spectrum ID |
8J9ENCTwTBV |
| Name |
3-(1-Acetylamino-1-phenylmethyl)-6-chloro-1-methylquinolin-2(1H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
340.097855493 u |
| Formula |
C19H17ClN2O2 |
| InChI |
InChI=1S/C19H17ClN2O2/c1-12(23)21-18(13-6-4-3-5-7-13)16-11-14-10-15(20)8-9-17(14)22(2)19(16)24/h3-11,18H,1-2H3,(H,21,23) |
| InChIKey |
KLIYMWYLEXPZCI-UHFFFAOYSA-N |
| Molecular Weight |
340.810 g/mol |
| SMILES |
C1(N(C=2C=CC(=CC2C=C1C(C=1C=CC=CC1)NC(=O)C)Cl)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950628 |
