| SpectraBase Compound ID | CLlim7CzNqV |
|---|---|
| InChI | InChI=1S/C9H19NO3S/c1-6(2)7(8(11)12)10-14(13)9(3,4)5/h6-7,10H,1-5H3,(H,11,12)/t7-,14?/m0/s1 |
| InChIKey | RKGUXASLECUVCM-CVSPRKDYSA-N |
| Mol Weight | 221.31 g/mol |
| Molecular Formula | C9H19NO3S |
| Exact Mass | 221.108565 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I5Mqso6aiYX |
|---|---|
| Name | (S,ss)-N-(Tert-butylsulfinyl)-2-amino-3-methylbutanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 221.108564647 u |
| Formula | C9H19NO3S |
| InChI | InChI=1S/C9H19NO3S/c1-6(2)7(8(11)12)10-14(13)9(3,4)5/h6-7,10H,1-5H3,(H,11,12)/t7-,14?/m0/s1 |
| InChIKey | RKGUXASLECUVCM-CVSPRKDYSA-N |
| Molecular Weight | 221.315 g/mol |
| SMILES | [C@](N[S@](C(C)(C)C)=O)(C(=O)O)(C(C)C)[H] |