| SpectraBase Spectrum ID |
GkQZvEv1Bc6 |
| Name |
4-Thiaheptane, 2,6-dihydroxy-1,7-diphenoxy- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
334.123880358 u |
| Formula |
C18H22O4S |
| InChI |
InChI=1S/C18H22O4S/c19-15(11-21-17-7-3-1-4-8-17)13-23-14-16(20)12-22-18-9-5-2-6-10-18/h1-10,15-16,19-20H,11-14H2 |
| InChIKey |
YETNNBRINXNIGU-UHFFFAOYSA-N |
| Molecular Weight |
334.430 g/mol |
| SMILES |
C1=CC(OCC(CSCC(COC2=CC=CC=C2)O)O)=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.954678 |
