| SpectraBase Spectrum ID |
AwvwEVkg85F |
| Name |
2-(2-Hydroxy-6-methoxy-3-methylthiophenyl)-3-methoxy-6-methylthiophenol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
338.064651404 u |
| Formula |
C16H18O4S2 |
| InChI |
InChI=1S/C16H18O4S2/c1-19-9-5-7-11(21-3)15(17)13(9)14-10(20-2)6-8-12(22-4)16(14)18/h5-8,17-18H,1-4H3 |
| InChIKey |
LQEFZUCSBHJQJJ-UHFFFAOYSA-N |
| Molecular Weight |
338.436 g/mol |
| SMILES |
C1(C2=C(C(SC)=CC=C2OC)O)=C(C(SC)=CC=C1OC)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.901758 |
