| SpectraBase Spectrum ID |
4XcLSV9QKbG |
| Name |
4.beta.-Acetamido-[(.beta.-ethoxycarbonyl)thiomethyl]-2,6-di-tert-butylphenol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
381.197379652 u |
| Formula |
C20H31NO4S |
| InChI |
InChI=1S/C20H31NO4S/c1-9-25-18(24)26-11-13-15(21-12(2)22)10-14(19(3,4)5)17(23)16(13)20(6,7)8/h10,23H,9,11H2,1-8H3,(H,21,22) |
| InChIKey |
PWLDKMACUYXDFO-UHFFFAOYSA-N |
| Molecular Weight |
381.531 g/mol |
| SMILES |
C=1(C(=C(CSC(=O)OCC)C(=CC1C(C)(C)C)NC(=O)C)C(C)(C)C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.941558 |
![4.beta.-Acetamido-[(.beta.-ethoxycarbonyl)thiomethyl]-2,6-di-tert-butylphenol](/api/spectrum/4XcLSV9QKbG/structure.png?h=300&w=458 "4.beta.-Acetamido-[(.beta.-ethoxycarbonyl)thiomethyl]-2,6-di-tert-butylphenol")
