| SpectraBase Spectrum ID |
5wmaSUbTxmP |
| Name |
Benzene, 1-(diethoxymethyl)-2,3-dimethoxy-5-(methylthio)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
286.123880358 u |
| Formula |
C14H22O4S |
| InChI |
InChI=1S/C14H22O4S/c1-6-17-14(18-7-2)11-8-10(19-5)9-12(15-3)13(11)16-4/h8-9,14H,6-7H2,1-5H3 |
| InChIKey |
ZHWHDGXLCUCPJJ-UHFFFAOYSA-N |
| SMILES |
C=1(C(=C(OC)C=C(C1)SC)OC)C(OCC)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.813927 |
