| SpectraBase Compound ID | 8ZRQxrAYQNL |
|---|---|
| InChI | InChI=1S/C6H15Cl2N2O2P/c1-9-13(11,12-2)10(5-3-7)6-4-8/h3-6H2,1-2H3,(H,9,11) |
| InChIKey | JJMLLKYHPLOFMQ-UHFFFAOYSA-N |
| Mol Weight | 249.08 g/mol |
| Molecular Formula | C6H15Cl2N2O2P |
| Exact Mass | 248.02482 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4BYzzPH8Q1z |
|---|---|
| Name | Phosphoramide mustard, dimethyl deriv. |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.024820127 u |
| Formula | C6H15Cl2N2O2P |
| InChI | InChI=1S/C6H15Cl2N2O2P/c1-9-13(11,12-2)10(5-3-7)6-4-8/h3-6H2,1-2H3,(H,9,11) |
| InChIKey | JJMLLKYHPLOFMQ-UHFFFAOYSA-N |
| Molecular Weight | 249.078 g/mol |
| SMILES | C(Cl)CN(P(OC)(=O)NC)CCCl |