| SpectraBase Spectrum ID |
1k0cU8Z8pTT |
| Name |
(2R)-3-(5-Acetamido-2-hydroxy-phenyl)sulfanyl-2-amino-propanoic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
270.067428109 u |
| Formula |
C11H14N2O4S |
| InChI |
InChI=1S/C11H14N2O4S/c1-6(14)13-7-2-3-9(15)10(4-7)18-5-8(12)11(16)17/h2-4,8,15H,5,12H2,1H3,(H,13,14)(H,16,17)/t8-/m0/s1 |
| InChIKey |
LLHICPSCVFRWDT-QMMMGPOBSA-N |
| SMILES |
C([C@](CSC1=CC(NC(=O)C)=CC=C1O)(N)[H])(=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.917138 |
