| SpectraBase Compound ID | 1jjN2OTtcUI |
|---|---|
| InChI | InChI=1S/C22H28N5O7P/c1-3-32-35(30,33-4-2)11-15-16(10-31-22(29)14-8-6-5-7-9-14)34-21(18(15)28)27-13-26-17-19(23)24-12-25-20(17)27/h5-9,12-13,15-16,18,21,28H,3-4,10-11H2,1-2H3,(H2,23,24,25) |
| InChIKey | AQKBRJPDHUBYCZ-UHFFFAOYSA-N |
| Mol Weight | 505.47 g/mol |
| Molecular Formula | C22H28N5O7P |
| Exact Mass | 505.172635 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Es4RHZCuGEf |
|---|---|
| Name | 5'-O-Benzoyl-3'-deoxy-3'-diethoxyphosphinylmethyl-adenosine |
| CAS Registry Number | 90012-84-3 |
| Comments | C2 ASSIGNED VIA SELECTIVE PROTON DECOUPLING |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C22H28N5O7P |
| InChI | InChI=1S/C22H28N5O7P/c1-3-32-35(30,33-4-2)11-15-16(10-31-22(29)14-8-6-5-7-9-14)34-21(18(15)28)27-13-26-17-19(23)24-12-25-20(17)27/h5-9,12-13,15-16,18,21,28H,3-4,10-11H2,1-2H3,(H2,23,24,25) |
| InChIKey | AQKBRJPDHUBYCZ-UHFFFAOYSA-N |
| Instrument Name | Bruker WH-400 |
| NMR Standard | CDCl3 |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |