![2-[(2-Aminoethyl)sulfanyl]acetic acid, methyl ester](/api/spectrum/GJU3mBBItdo/structure.png?h=300&w=458 "2-[(2-Aminoethyl)sulfanyl]acetic acid, methyl ester")
| SpectraBase Compound ID | JvYB3JcAqbp |
|---|---|
| InChI | InChI=1S/C5H11NO2S/c1-8-5(7)4-9-3-2-6/h2-4,6H2,1H3 |
| InChIKey | UNGMNTDBZIVEIK-UHFFFAOYSA-N |
| Mol Weight | 149.21 g/mol |
| Molecular Formula | C5H11NO2S |
| Exact Mass | 149.05105 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GJU3mBBItdo |
|---|---|
| Name | 2-[(2-Aminoethyl)sulfanyl]acetic acid, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 149.051049770 u |
| Formula | C5H11NO2S |
| InChI | InChI=1S/C5H11NO2S/c1-8-5(7)4-9-3-2-6/h2-4,6H2,1H3 |
| InChIKey | UNGMNTDBZIVEIK-UHFFFAOYSA-N |
| Molecular Weight | 149.208 g/mol |
| SMILES | C(SCCN)C(OC)=O |