| SpectraBase Compound ID | Blw90oGgGCI |
|---|---|
| InChI | InChI=1S/C12H16N2O4/c1-8(15)10(11(13)16)14-12(17)18-7-9-5-3-2-4-6-9/h2-6,8,10,15H,7H2,1H3,(H2,13,16)(H,14,17)/t8-,10+/m1/s1 |
| InChIKey | PYZXYZOBPGPOFQ-SCZZXKLOSA-N |
| Mol Weight | 252.27 g/mol |
| Molecular Formula | C12H16N2O4 |
| Exact Mass | 252.111007 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2MPSEMDnICp |
|---|---|
| Name | N-(Benzyloxycarbonyl)-L-threonine amide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.111006999 u |
| Formula | C12H16N2O4 |
| InChI | InChI=1S/C12H16N2O4/c1-8(15)10(11(13)16)14-12(17)18-7-9-5-3-2-4-6-9/h2-6,8,10,15H,7H2,1H3,(H2,13,16)(H,14,17)/t8-,10+/m1/s1 |
| InChIKey | PYZXYZOBPGPOFQ-SCZZXKLOSA-N |
| Molecular Weight | 252.270 g/mol |
| SMILES | C(N[C@](C(N)=O)([C@](O)(C)[H])[H])(=O)OCC1=CC=CC=C1 |