![2-[(2-Aminoethyl)sulfanyl]acetic acid](/api/spectrum/VtbJdvvb9d/structure.png?h=300&w=458 "2-[(2-Aminoethyl)sulfanyl]acetic acid")
| SpectraBase Compound ID | I5mIwQpxhgF |
|---|---|
| InChI | InChI=1S/C4H9NO2S/c5-1-2-8-3-4(6)7/h1-3,5H2,(H,6,7) |
| InChIKey | HMZKKJDOCRYTTH-UHFFFAOYSA-N |
| Mol Weight | 135.18 g/mol |
| Molecular Formula | C4H9NO2S |
| Exact Mass | 135.0354 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | VtbJdvvb9d |
|---|---|
| Name | 2-[(2-Aminoethyl)sulfanyl]acetic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 135.035399706 u |
| Formula | C4H9NO2S |
| InChI | InChI=1S/C4H9NO2S/c5-1-2-8-3-4(6)7/h1-3,5H2,(H,6,7) |
| InChIKey | HMZKKJDOCRYTTH-UHFFFAOYSA-N |
| Molecular Weight | 135.181 g/mol |
| SMILES | C(SCCN)C(O)=O |