| SpectraBase Compound ID | 3Cas2ysCZHx |
|---|---|
| InChI | InChI=1S/C22H23N5O9P2S/c23-20-17-21(25-12-24-20)27(13-26-17)22-19(29)18(28)16(33-22)11-32-38(31,39)36-37(30,34-14-7-3-1-4-8-14)35-15-9-5-2-6-10-15/h1-10,12-13,16,18-19,22,28-29H,11H2,(H,31,39)(H2,23,24,25)/p-1/t16-,18-,19-,22-,38?/m0/s1 |
| InChIKey | PFZFXIPCOMACOV-BBTLCGQASA-M |
| Mol Weight | 594.45 g/mol |
| Molecular Formula | C22H22N5O9P2S |
| Exact Mass | 594.061347 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5vzAdr4eapE |
|---|---|
| Name | PFZFXIPCOMACOV-BBTLCGQASA-M |
| Compound Number | 10A |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H22N5O9P2S |
| InChI | InChI=1S/C22H23N5O9P2S/c23-20-17-21(25-12-24-20)27(13-26-17)22-19(29)18(28)16(33-22)11-32-38(31,39)36-37(30,34-14-7-3-1-4-8-14)35-15-9-5-2-6-10-15/h1-10,12-13,16,18-19,22,28-29H,11H2,(H,31,39)(H2,23,24,25)/p-1/t16-,18-,19-,22-,38?/m0/s1 |
| InChIKey | PFZFXIPCOMACOV-BBTLCGQASA-M |
| Literature Reference Author | T.MORIGUCHI,T.YANAGI,T.WADA,M.SEKINE |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,1859(1999) |
| Literature Reference DOI | 10.1039/a900985j |
| Solvent | C5H5N:C5D5N=4:1 |
| Source File Reference | UWSI8033 |