| SpectraBase Compound ID | 85yWSjqdVwR |
|---|---|
| InChI | InChI=1S/C16H22N2O6S/c1-3-10-17-25(21,22)12-14(15(19)23-4-2)18-16(20)24-11-13-8-6-5-7-9-13/h3,5-9,14,17H,1,4,10-12H2,2H3,(H,18,20)/t14-/m0/s1 |
| InChIKey | LKFPAHKVTQSFFO-AWEZNQCLSA-N |
| Mol Weight | 370.42 g/mol |
| Molecular Formula | C16H22N2O6S |
| Exact Mass | 370.119858 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7ygmDEdMtmG |
|---|---|
| Name | Ethyl 3-allylaminosulfonyl-2R-benzyloxycarbamidopropionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 370.119857604 u |
| Formula | C16H22N2O6S |
| InChI | InChI=1S/C16H22N2O6S/c1-3-10-17-25(21,22)12-14(15(19)23-4-2)18-16(20)24-11-13-8-6-5-7-9-13/h3,5-9,14,17H,1,4,10-12H2,2H3,(H,18,20)/t14-/m0/s1 |
| InChIKey | LKFPAHKVTQSFFO-AWEZNQCLSA-N |
| Molecular Weight | 370.420 g/mol |
| SMILES | C(NS(=O)(=O)C[C@](NC(OCC1=CC=CC=C1)=O)(C(=O)OCC)[H])C=C |