| SpectraBase Compound ID | CVvWLuxCxjv |
|---|---|
| InChI | InChI=1S/C12H16N3O3PS/c1-3-16-19(20,17-4-2)18-12-13-10-15(14-12)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3 |
| InChIKey | AMFGTOFWMRQMEM-UHFFFAOYSA-N |
| Mol Weight | 313.31 g/mol |
| Molecular Formula | C12H16N3O3PS |
| Exact Mass | 313.065 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IFqY0Oc7TYv |
|---|---|
| Name | hoe-002960 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 313.064999556 u |
| Formula | C12H16N3O3PS |
| InChI | InChI=1S/C12H16N3O3PS/c1-3-16-19(20,17-4-2)18-12-13-10-15(14-12)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3 |
| InChIKey | AMFGTOFWMRQMEM-UHFFFAOYSA-N |
| Molecular Weight | 313.312 g/mol |
| SMILES | C(OP(=S)(OCC)OC1=NN(C=N1)C1=CC=CC=C1)C |