| SpectraBase Spectrum ID |
BxKtSZ0jYH8 |
| Name |
5-Hydroxy-2,8-bis(methylthio)-1,4-naphthoquinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
266.007136527 u |
| Formula |
C12H10O3S2 |
| InChI |
InChI=1S/C12H10O3S2/c1-16-8-4-3-6(13)10-7(14)5-9(17-2)12(15)11(8)10/h3-5,13H,1-2H3 |
| InChIKey |
ZDRNBUVLGLQWSA-UHFFFAOYSA-N |
| Molecular Weight |
266.329 g/mol |
| SMILES |
C12=C(C(=O)C=C(C2=O)SC)C(O)=CC=C1SC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.920873 |
