| SpectraBase Spectrum ID |
GnmJk8soKoy |
| Name |
(3Z)-1-Acetyl-1,3-dihydro-3-[2-(4-chlorophenyl)-2-oxo-1-phenylethylidene)-2H-indol-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
401.081871076 u |
| Formula |
C24H16ClNO3 |
| InChI |
InChI=1S/C24H16ClNO3/c1-15(27)26-20-10-6-5-9-19(20)22(24(26)29)21(16-7-3-2-4-8-16)23(28)17-11-13-18(25)14-12-17/h2-14H,1H3/b22-21- |
| InChIKey |
QNDCUMXCVBMLGD-DQRAZIAOSA-N |
| Molecular Weight |
401.849 g/mol |
| SMILES |
C1(N(C2=C(\C1=C/(C(C1=CC=C(C=C1)Cl)=O)C1=CC=CC=C1)C=CC=C2)C(=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959084 |
