SpectraBase Spectrum ID |
I11rVfmb5ZX |
Name |
3-[(3,5-Dichloro-4-isopropoxyphenyl)methylidene]-1H-indol-2-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
347.047984125 u |
Formula |
C18H15Cl2NO2 |
InChI |
InChI=1S/C18H15Cl2NO2/c1-10(2)23-17-14(19)8-11(9-15(17)20)7-13-12-5-3-4-6-16(12)21-18(13)22/h3-10H,1-2H3,(H,21,22)/b13-7- |
InChIKey |
TVHSPDYYIXPKER-QPEQYQDCSA-N |
Molecular Weight |
348.229 g/mol |
SMILES |
C1(\C=C/2C(NC3=C2C=CC=C3)=O)=CC(=C(C(=C1)Cl)OC(C)C)Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.824422 |