| SpectraBase Spectrum ID |
IvIOUeW5YSB |
| Name |
7-Hydroxy-3-methyl-14H-5-thia-14-aza-pentaphene-8,13-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
359.061614454 u |
| Formula |
C21H13NO3S |
| InChI |
InChI=1S/C21H13NO3S/c1-10-6-7-13-15(8-10)26-16-9-14(23)17-18(19(16)22-13)21(25)12-5-3-2-4-11(12)20(17)24/h2-9,22-23H,1H3 |
| InChIKey |
BNLGIWVQPZIDLU-UHFFFAOYSA-N |
| Molecular Weight |
359.399 g/mol |
| SMILES |
C12=C(C(=O)C=3C(C2=O)=CC=CC3)C(O)=CC2=C1NC1=CC=C(C=C1S2)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.897756 |
