| SpectraBase Spectrum ID |
KDnTliNryLv |
| Name |
Benz[D]oxatiolane-2-thione, 5-hydroxy-7-(3-nitrophenyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
304.981650053 u |
| Formula |
C13H7NO4S2 |
| InChI |
InChI=1S/C13H7NO4S2/c15-9-5-10(12-11(6-9)20-13(19)18-12)7-2-1-3-8(4-7)14(16)17/h1-6,15H |
| InChIKey |
DREFAICVAMXJNR-UHFFFAOYSA-N |
| Molecular Weight |
305.322 g/mol |
| SMILES |
C12=C(SC(O2)=S)C=C(C=C1C1=CC=CC(N(=O)=O)=C1)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.948289 |
![Benz[d]oxatiolane-2-thione, 5-hydroxy-7-(3-nitrophenyl)-](/api/spectrum/KDnTliNryLv/structure.png?h=300&w=458 "Benz[d]oxatiolane-2-thione, 5-hydroxy-7-(3-nitrophenyl)-")
