| SpectraBase Compound ID | KWuY3KgrO5o |
|---|---|
| InChI | InChI=1S/C21H24N9O4P/c31-19(25-22-16-10-4-1-5-11-16)28-35(34,29-20(32)26-23-17-12-6-2-7-13-17)30-21(33)27-24-18-14-8-3-9-15-18/h1-15,22-24H,(H6,25,26,27,28,29,30,31,32,33,34) |
| InChIKey | XIDNUMUTPZZBDI-UHFFFAOYSA-N |
| Mol Weight | 497.46 g/mol |
| Molecular Formula | C21H24N9O4P |
| Exact Mass | 497.168887 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GTEYk9Xwx4B |
|---|---|
| Name | Semicarbazide, 4,4',4''-phosphinylidynetris(1-phenyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 497.168887283 u |
| Formula | C21H24N9O4P |
| InChI | InChI=1S/C21H24N9O4P/c31-19(25-22-16-10-4-1-5-11-16)28-35(34,29-20(32)26-23-17-12-6-2-7-13-17)30-21(33)27-24-18-14-8-3-9-15-18/h1-15,22-24H,(H6,25,26,27,28,29,30,31,32,33,34) |
| InChIKey | XIDNUMUTPZZBDI-UHFFFAOYSA-N |
| Molecular Weight | 497.456 g/mol |
| SMILES | C1=CC=CC=C1NNC(=O)NP(=O)(NC(NNC=1C=CC=CC1)=O)NC(=O)NNC1=CC=CC=C1 |