| SpectraBase Spectrum ID |
JgxeFSqGg3X |
| Name |
alpha-Amino-4-tert-butyl-6-(ethylthio)-o-cresol, hydrochloride |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
275.111063205 u |
| Formula |
C13H22ClNOS |
| InChI |
InChI=1S/C13H21NOS.ClH/c1-5-16-11-7-10(13(2,3)4)6-9(8-14)12(11)15;/h6-7,15H,5,8,14H2,1-4H3;1H |
| InChIKey |
ZXRGMUOTHMWVII-UHFFFAOYSA-N |
| Molecular Weight |
275.838 g/mol |
| SMILES |
NCC=1C(=C(C=C(C1)C(C)(C)C)SCC)O.Cl |
| Spectrum/Structure Validation Score (Raman) |
0.885319 |
