| SpectraBase Compound ID | CWfmKVjNo2b |
|---|---|
| InChI | InChI=1S/C12H24N3O3PS/c1-5-7-17-19(20,18-8-6-2)15-9-13-14-12(16)11(15)10(3)4/h9-11H,5-8H2,1-4H3,(H,14,16) |
| InChIKey | NIFMYCSMJICAQY-UHFFFAOYSA-N |
| Mol Weight | 321.38 g/mol |
| Molecular Formula | C12H24N3O3PS |
| Exact Mass | 321.1276 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DKBpkdI7B6n |
|---|---|
| Name | 4-Dipropoxythiophosphoryl-5-isopropyl-4,5-dihydro-1,2,4-triazin-6-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 321.127599814 u |
| Formula | C12H24N3O3PS |
| InChI | InChI=1S/C12H24N3O3PS/c1-5-7-17-19(20,18-8-6-2)15-9-13-14-12(16)11(15)10(3)4/h9-11H,5-8H2,1-4H3,(H,14,16) |
| InChIKey | NIFMYCSMJICAQY-UHFFFAOYSA-N |
| Molecular Weight | 321.376 g/mol |
| SMILES | N1N=CN(C(C1=O)C(C)C)P(OCCC)(=S)OCCC |