![norleucine, N-[(4-methoxyphenyl)sulfonyl]-](/api/spectrum/5ylfOinpXG8/structure.png?h=300&w=458 "norleucine, N-[(4-methoxyphenyl)sulfonyl]-")
| SpectraBase Compound ID | 8ptzu1Rc4Vk |
|---|---|
| InChI | InChI=1S/C13H19NO5S/c1-3-4-5-12(13(15)16)14-20(17,18)11-8-6-10(19-2)7-9-11/h6-9,12,14H,3-5H2,1-2H3,(H,15,16) |
| InChIKey | UWWDQNXVCUNXSL-UHFFFAOYSA-N |
| Mol Weight | 301.36 g/mol |
| Molecular Formula | C13H19NO5S |
| Exact Mass | 301.098394 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5ylfOinpXG8 |
|---|---|
| Name | Norleucine, N-[(4-methoxyphenyl)sulfonyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 301.098393885 u |
| Formula | C13H19NO5S |
| InChI | InChI=1S/C13H19NO5S/c1-3-4-5-12(13(15)16)14-20(17,18)11-8-6-10(19-2)7-9-11/h6-9,12,14H,3-5H2,1-2H3,(H,15,16) |
| InChIKey | UWWDQNXVCUNXSL-UHFFFAOYSA-N |
| Molecular Weight | 301.357 g/mol |
| SMILES | N(S(C1=CC=C(C=C1)OC)(=O)=O)C(C(=O)O)CCCC |