| SpectraBase Compound ID | 8INMXwA6ZhZ |
|---|---|
| InChI | InChI=1S/C51H56N7O8P/c1-35(2)58(36(3)4)67(64-32-14-30-52)66-43-33-48(57-31-29-47(56-50(57)60)54-45-19-13-20-46(53-45)55-49(59)37-15-9-7-10-16-37)65-44(43)34-63-51(38-17-11-8-12-18-38,39-21-25-41(61-5)26-22-39)40-23-27-42(62-6)28-24-40/h7-13,15-29,31,35-36,43-44,48H,14,32-34H2,1-6H3,(H2,53,54,55,56,59,60)/t43?,44-,48-,67?/m1/s1 |
| InChIKey | AELVHAHKVJLDMO-FRRFTQEHSA-N |
| Mol Weight | 926.0 g/mol |
| Molecular Formula | C51H56N7O8P |
| Exact Mass | 925.392799 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | loc4nwTGFr |
|---|---|
| Name | N4-(N6-Benzoyl-6-aminopyridin-2-yl)-5'-dimethoxytrityl-2'-deoxycytidine 3'-O-(2-cyanoethyl)-N,N-diisopropylaminophosphoramidite) |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C51H56N7O8P |
| InChI | InChI=1S/C51H56N7O8P/c1-35(2)58(36(3)4)67(64-32-14-30-52)66-43-33-48(57-31-29-47(56-50(57)60)54-45-19-13-20-46(53-45)55-49(59)37-15-9-7-10-16-37)65-44(43)34-63-51(38-17-11-8-12-18-38,39-21-25-41(61-5)26-22-39)40-23-27-42(62-6)28-24-40/h7-13,15-29,31,35-36,43-44,48H,14,32-34H2,1-6H3,(H2,53,54,55,56,59,60)/t43?,44-,48-,67?/m1/s1 |
| InChIKey | AELVHAHKVJLDMO-FRRFTQEHSA-N |
| Molecular Weight | 926.024 g/mol |
| SMILES | N(C=1C=CN(C(N1)=O)[C@@]1(O[C@](COC(c2ccc(cc2)OC)(c2ccc(cc2)OC)c2ccccc2)(C(C1)OP(N(C(C)C)C(C)C)OCCC#N)[H])[H])c1nc(NC(=O)c2ccccc2)ccc1 |
| SPLASH | splash10-0udi-0009000000-8be5667f42fe12075cd2 |
| Source of Spectrum | QA-46-758-8 |
| Wiley ID | 863226 |