| SpectraBase Spectrum ID |
JLvZln6pPIT |
| Name |
Benzenemethanethiol, 4,4'-[thiobis(methylene)]bis[2,5-dimethoxy- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
426.099322835 u |
| Formula |
C20H26O4S3 |
| InChI |
InChI=1S/C20H26O4S3/c1-21-17-7-15(19(23-3)5-13(17)9-25)11-27-12-16-8-18(22-2)14(10-26)6-20(16)24-4/h5-8,25-26H,9-12H2,1-4H3 |
| InChIKey |
AYUXWQFOLRGUOR-UHFFFAOYSA-N |
| Molecular Weight |
426.604 g/mol |
| SMILES |
COC1=CC(CSCC2=CC(OC)=C(C=C2OC)CS)=C(C=C1CS)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.960852 |
![Benzenemethanethiol, 4,4'-[thiobis(methylene)]bis[2,5-dimethoxy-](/api/spectrum/JLvZln6pPIT/structure.png?h=300&w=458 "Benzenemethanethiol, 4,4'-[thiobis(methylene)]bis[2,5-dimethoxy-")
