SpectraBase Spectrum ID |
9Okan1xQVKS |
Name |
3H-Indol-3-one, 1,2-dihydro-2-(3-oxoanthra[2,3-B]thien-2(3H)ylidene)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
379.066699835 u |
Formula |
C24H13NO2S |
InChI |
InChI=1S/C24H13NO2S/c26-22-17-7-3-4-8-19(17)25-21(22)24-23(27)18-11-15-9-13-5-1-2-6-14(13)10-16(15)12-20(18)28-24/h1-12,25H/b24-21- |
InChIKey |
SLCJNDJZKXFZEQ-FLFQWRMESA-N |
Molecular Weight |
379.433 g/mol |
SMILES |
N1\C(C(C=2C1=CC=CC2)=O)=C\1C(C2=C(S1)C=C1C(=C2)C=C2C(=C1)C=CC=C2)=O |
Spectrum/Structure Validation Score (Raman) |
0.954625 |