| SpectraBase Compound ID | K61Dj2ymRF0 |
|---|---|
| InChI | InChI=1S/C19H29N2O6P/c1-14(2)17(20-19(23)27-13-15-9-6-5-7-10-15)18(22)21-12-8-11-16(21)28(24,25-3)26-4/h5-7,9-10,14,16-17H,8,11-13H2,1-4H3,(H,20,23)/t16?,17-/m0/s1 |
| InChIKey | ZXSUKVVCMOWISN-DJNXLDHESA-N |
| Mol Weight | 412.42 g/mol |
| Molecular Formula | C19H29N2O6P |
| Exact Mass | 412.176324 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 10ix3SVNrj7 |
|---|---|
| Name | Dimethyl-N-(benzyloxycarbonyl)-L-valyl-(2-decarboxy-D/L-prolin-2-yl)-phosphonate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 412.176323654 u |
| Formula | C19H29N2O6P |
| InChI | InChI=1S/C19H29N2O6P/c1-14(2)17(20-19(23)27-13-15-9-6-5-7-10-15)18(22)21-12-8-11-16(21)28(24,25-3)26-4/h5-7,9-10,14,16-17H,8,11-13H2,1-4H3,(H,20,23)/t16?,17-/m0/s1 |
| InChIKey | ZXSUKVVCMOWISN-DJNXLDHESA-N |
| Molecular Weight | 412.423 g/mol |
| SMILES | C(N1C(P(=O)(OC)OC)CCC1)([C@@](NC(=O)OCC1=CC=CC=C1)(C(C)C)[H])=O |