| SpectraBase Compound ID | E21iprHL7W7 |
|---|---|
| InChI | InChI=1S/C19H20ClN4O8P/c1-19(2)30-14-12(7-28-33(26,27)32-11-6-4-3-5-10(11)25)29-18(15(14)31-19)24-9-23-13-16(20)21-8-22-17(13)24/h3-6,8-9,12,14-15,18,25H,7H2,1-2H3,(H,26,27)/t12-,14-,15-,18-/m0/s1 |
| InChIKey | ZAWBGWVTUCUCQX-OWCBBSPXSA-N |
| Mol Weight | 498.82 g/mol |
| Molecular Formula | C19H20ClN4O8P |
| Exact Mass | 498.070728 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6QvTQHCrkcq |
|---|---|
| Name | 2',3'-ISOPROPYLIDENE-N6-CHLORO-PURINE-5'-(ORTHO-HYDROXY-PHENYLESTER)-MONOPHOSPHATE;CI-AMP-AC-S |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C19H19ClN4O8P |
| InChI | InChI=1S/C19H20ClN4O8P/c1-19(2)30-14-12(7-28-33(26,27)32-11-6-4-3-5-10(11)25)29-18(15(14)31-19)24-9-23-13-16(20)21-8-22-17(13)24/h3-6,8-9,12,14-15,18,25H,7H2,1-2H3,(H,26,27)/t12-,14-,15-,18-/m0/s1 |
| InChIKey | ZAWBGWVTUCUCQX-OWCBBSPXSA-N |
| Literature Reference Author | L.SCHMITT,R.TAMPE |
| Literature Reference Citation | J.AM.CHEM.SOC.,118,5532(1996) |
| Literature Reference DOI | 10.1021/ja953937m |
| Solvent | DMSO |
| Source File Reference | UWLU55009 |