![2-[(2-Aminoethyl)sulfanyl]acetic acid, N-methyl-, methyl ester](/api/spectrum/3cREna8Vqjw/structure.png?h=300&w=458 "2-[(2-Aminoethyl)sulfanyl]acetic acid, N-methyl-, methyl ester")
| SpectraBase Compound ID | BaTtuMfLH5z |
|---|---|
| InChI | InChI=1S/C6H13NO2S/c1-7-3-4-10-5-6(8)9-2/h7H,3-5H2,1-2H3 |
| InChIKey | VFUNCWYANVDPAP-UHFFFAOYSA-N |
| Mol Weight | 163.23 g/mol |
| Molecular Formula | C6H13NO2S |
| Exact Mass | 163.0667 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3cREna8Vqjw |
|---|---|
| Name | 2-[(2-Aminoethyl)sulfanyl]acetic acid, N-methyl-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 163.066699835 u |
| Formula | C6H13NO2S |
| InChI | InChI=1S/C6H13NO2S/c1-7-3-4-10-5-6(8)9-2/h7H,3-5H2,1-2H3 |
| InChIKey | VFUNCWYANVDPAP-UHFFFAOYSA-N |
| Molecular Weight | 163.235 g/mol |
| SMILES | C(SCCNC)C(OC)=O |