![L-3-[(2-Aminoethyl)thio]alanine](/api/spectrum/4uZuCUd9Nzp/structure.png?h=300&w=458 "L-3-[(2-Aminoethyl)thio]alanine")
| SpectraBase Compound ID | ASfVRDuuY2L |
|---|---|
| InChI | InChI=1S/C5H12N2O2S/c6-1-2-10-3-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9) |
| InChIKey | GHSJKUNUIHUPDF-UHFFFAOYSA-N |
| Mol Weight | 164.22 g/mol |
| Molecular Formula | C5H12N2O2S |
| Exact Mass | 164.061949 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 4uZuCUd9Nzp |
|---|---|
| Name | L-3-[(2-Aminoethyl)thio]alanine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 164.061948806 u |
| Formula | C5H12N2O2S |
| InChI | InChI=1S/C5H12N2O2S/c6-1-2-10-3-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9) |
| InChIKey | GHSJKUNUIHUPDF-UHFFFAOYSA-N |
| Molecular Weight | 164.223 g/mol |
| SMILES | [NH3+]C(CSCCN)C([O-])=O |
| Spectrum/Structure Validation Score (Raman) | 0.911321 |