![[(2-oxo-1,3,5-Diazaphosphorinan-5-yl)methyl]carbamic acid, ethyl ester, 5-oxide](/api/spectrum/9aA7py4o0ii/structure.png?h=300&w=458 "[(2-oxo-1,3,5-Diazaphosphorinan-5-yl)methyl]carbamic acid, ethyl ester, 5-oxide")
| SpectraBase Compound ID | AukrGFrOvQ4 |
|---|---|
| InChI | InChI=1S/C7H14N3O4P/c1-2-14-7(12)10-5-15(13)3-8-6(11)9-4-15/h2-5H2,1H3,(H,10,12)(H2,8,9,11) |
| InChIKey | BHJLLQZUKKPDDI-UHFFFAOYSA-N |
| Mol Weight | 235.18 g/mol |
| Molecular Formula | C7H14N3O4P |
| Exact Mass | 235.072193 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9aA7py4o0ii |
|---|---|
| Name | [(2-oxo-1,3,5-Diazaphosphorinan-5-yl)methyl]carbamic acid, ethyl ester, 5-oxide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 235.072192937 u |
| Formula | C7H14N3O4P |
| InChI | InChI=1S/C7H14N3O4P/c1-2-14-7(12)10-5-15(13)3-8-6(11)9-4-15/h2-5H2,1H3,(H,10,12)(H2,8,9,11) |
| InChIKey | BHJLLQZUKKPDDI-UHFFFAOYSA-N |
| Molecular Weight | 235.180 g/mol |
| SMILES | N(CP1(CNC(NC1)=O)=O)C(=O)OCC |