| SpectraBase Spectrum ID |
LW41fFNlfjk |
| Name |
Benzamide, N-(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-N-methyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
325.050570947 u |
| Formula |
C18H12ClNO3 |
| InChI |
InChI=1S/C18H12ClNO3/c1-20(18(23)11-7-3-2-4-8-11)15-14(19)16(21)12-9-5-6-10-13(12)17(15)22/h2-10H,1H3 |
| InChIKey |
BRULNFCXMFWBDS-UHFFFAOYSA-N |
| Molecular Weight |
325.751 g/mol |
| SMILES |
C1(=C(C(=O)C=2C(C1=O)=CC=CC2)Cl)N(C(=O)C1=CC=CC=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.870089 |
