| SpectraBase Compound ID | 4e6ILt72hbW |
|---|---|
| InChI | InChI=1S/2C30H42N7O6P/c2*1-20(2)37(21(3)4)44(41-15-11-14-31)43-23-16-25(42-24(23)17-40-30(5,6)39-7)36-19-34-26-27(32-18-33-28(26)36)35-29(38)22-12-9-8-10-13-22/h2*8-10,12-13,18-21,23-25H,11,15-17H2,1-7H3,(H,32,33,35,38)/t2*23-,24+,25+,44?/m00/s1 |
| InChIKey | DVBCVRHQAWROLW-UZUPPVDRSA-N |
| Mol Weight | 1255.4 g/mol |
| Molecular Formula | C60H84N14O12P2 |
| Exact Mass | 1254.586838 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FmZvZOr3DO2 |
|---|---|
| Name | N-(6)-BENZOYL-5'-O-(1-METHOXY-1-METHYLETHYL)-2'-DEOXY-ADENOSINE-3'-(2-CYANOETHYL-N,N-DIISOPROPYL)-PHOSPHOR-AMIDITE |
| Compound Number | 5C |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C60H84N14O12P2 |
| InChI | InChI=1S/2C30H42N7O6P/c2*1-20(2)37(21(3)4)44(41-15-11-14-31)43-23-16-25(42-24(23)17-40-30(5,6)39-7)36-19-34-26-27(32-18-33-28(26)36)35-29(38)22-12-9-8-10-13-22/h2*8-10,12-13,18-21,23-25H,11,15-17H2,1-7H3,(H,32,33,35,38)/t2*23-,24+,25+,44?/m00/s1 |
| InChIKey | DVBCVRHQAWROLW-UZUPPVDRSA-N |
| Literature Reference Author | A.G.MOLINA,V.KUNGURTSEV,P.VIRTA,H.LOENNBERG |
| Literature Reference Citation | MOLECULES,17,12102(2012) |
| Literature Reference DOI | 10.3390/molecules171012102 |
| Molecular Weight | 1255.361 g/mol |
| Sample ID | 1540 |
| Solvent | CDCl3 |