| SpectraBase Compound ID | D2T5HOYfp82 |
|---|---|
| InChI | InChI=1S/C5H12N3O5PS3/c6-5-15-3-1-7-14(9,10)8-2-4-16-17(11,12)13/h1-4H2,(H,11,12,13)(H3,7,8,9,10)/p-1 |
| InChIKey | YHAIESOTYZGOCZ-UHFFFAOYSA-M |
| Mol Weight | 320.31 g/mol |
| Molecular Formula | C5H11N3O5PS3 |
| Exact Mass | 319.959846 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IjyjiwyAMhC |
|---|---|
| Name | nu'=scn) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 319.959845981 u |
| Formula | C5H11N3O5PS3 |
| InChI | InChI=1S/C5H12N3O5PS3/c6-5-15-3-1-7-14(9,10)8-2-4-16-17(11,12)13/h1-4H2,(H,11,12,13)(H3,7,8,9,10)/p-1 |
| InChIKey | YHAIESOTYZGOCZ-UHFFFAOYSA-M |
| Molecular Weight | 320.313 g/mol |
| Nominal Mass | 320 u |
| SMILES | C(NP(O)(=O)NCCSC#N)CSS(=O)(=O)[O-] |