| SpectraBase Spectrum ID |
19leygzXdRk |
| Name |
2-(4-(p-Methoxyphenyloxy)-2-methyl-2-hydroxy)butyl-1,3-dithiacyclohexane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
328.116686978 u |
| Formula |
C16H24O3S2 |
| InChI |
InChI=1S/C16H24O3S2/c1-16(17,12-15-20-10-3-11-21-15)8-9-19-14-6-4-13(18-2)5-7-14/h4-7,15,17H,3,8-12H2,1-2H3 |
| InChIKey |
SQFGRSJVPFDKJG-UHFFFAOYSA-N |
| Molecular Weight |
328.485 g/mol |
| SMILES |
C(C1SCCCS1)C(CCOC=1C=CC(=CC1)OC)(O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.965526 |
