SpectraBase Spectrum ID |
JLriJiSZ3f2 |
Name |
2-(1-oxo-1H-Naphtho[2,1-B]thiophen-2-ylidene)-1,2-dihydroindol-3-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
329.051049770 u |
Formula |
C20H11NO2S |
InChI |
InChI=1S/C20H11NO2S/c22-18-13-7-3-4-8-14(13)21-17(18)20-19(23)16-12-6-2-1-5-11(12)9-10-15(16)24-20/h1-10,21H/b20-17- |
InChIKey |
RZJYEAXZXIJKCJ-JZJYNLBNSA-N |
Molecular Weight |
329.373 g/mol |
SMILES |
C12=C(S\C(C2=O)=C/2C(C3=CC=CC=C3N2)=O)C=CC2=C1C=CC=C2 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.974332 |