| SpectraBase Compound ID | LOEGz4TKLys |
|---|---|
| InChI | InChI=1S/C6H13NO2S/c1-2-3-10-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9) |
| InChIKey | WAAGBMYUYFBZIW-UHFFFAOYSA-N |
| Mol Weight | 163.24 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 | AOTZUWJbg32 |
|---|---|
| Name | 2-Amino-3-propylsulfanylpropionic acid |
| 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/c1-2-3-10-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9) |
| InChIKey | WAAGBMYUYFBZIW-UHFFFAOYSA-N |
| SMILES | NC(C(=O)O)CSCCC |