| SpectraBase Spectrum ID |
DGXEfJSXGWY |
| Name |
2,6-di-Tert-butyl-4-mercaptophenol, S-ethoxycarbonyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
310.160265868 u |
| Formula |
C17H26O3S |
| InChI |
InChI=1S/C17H26O3S/c1-8-20-15(19)21-11-9-12(16(2,3)4)14(18)13(10-11)17(5,6)7/h9-10,18H,8H2,1-7H3 |
| InChIKey |
LIODCJUZZRKKOP-UHFFFAOYSA-N |
| Molecular Weight |
310.452 g/mol |
| SMILES |
C(C)(C)(C)C1=C(O)C(C(C)(C)C)=CC(=C1)SC(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.969518 |
