| SpectraBase Spectrum ID |
lLUCsrhkGn |
| Name |
6-Nitro-3H-1,3-benzoxazole-2-thione, me derivative |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
210.009913232 u |
| Formula |
C8H6N2O3S |
| InChI |
InChI=1S/C8H6N2O3S/c1-9-6-3-2-5(10(11)12)4-7(6)13-8(9)14/h2-4H,1H3 |
| InChIKey |
PHRNDAFQWGSDHT-UHFFFAOYSA-N |
| Molecular Weight |
210.207 g/mol |
| SMILES |
C1(=S)N(C2=C(O1)C=C(C=C2)N(=O)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.924819 |
