| SpectraBase Spectrum ID |
3GWUzeGS55H |
| Name |
1-Hydroxy-4-(methylthio)naphthalene-2,3-dicarboxylic acid dimethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
306.056194720 u |
| Formula |
C15H14O5S |
| InChI |
InChI=1S/C15H14O5S/c1-19-14(17)10-11(15(18)20-2)13(21-3)9-7-5-4-6-8(9)12(10)16/h4-7,16H,1-3H3 |
| InChIKey |
VPNCBXKTNIVFED-UHFFFAOYSA-N |
| Molecular Weight |
306.332 g/mol |
| SMILES |
C1(=C(C(O)=C2C(=C1SC)C=CC=C2)C(=O)OC)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.892118 |
