| SpectraBase Compound ID | JsiiB71VpvT |
|---|---|
| InChI | InChI=1S/C6H13NO2S2/c1-2-3-10-11-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9) |
| InChIKey | JVVXIPKJTDVPQZ-UHFFFAOYSA-N |
| Mol Weight | 195.29 g/mol |
| Molecular Formula | C6H13NO2S2 |
| Exact Mass | 195.038771 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C7j3BSWgClJ |
|---|---|
| Name | 3-(Propyldisulfanyl)alanine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 195.038771009 u |
| Formula | C6H13NO2S2 |
| InChI | InChI=1S/C6H13NO2S2/c1-2-3-10-11-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9) |
| InChIKey | JVVXIPKJTDVPQZ-UHFFFAOYSA-N |
| SMILES | C(C)CSSCC(C(=O)O)N |