| SpectraBase Compound ID | 6H3qugHRYeK |
|---|---|
| InChI | InChI=1S/C47H37F3N2O5/c48-47(49,50)39-32-52(44(54)51-42(39)53)41-31-40(56-45(33-19-7-1-8-20-33,34-21-9-2-10-22-34)35-23-11-3-12-24-35)43(55-41)57-46(36-25-13-4-14-26-36,37-27-15-5-16-28-37)38-29-17-6-18-30-38/h1-30,32,40-41,43H,31H2,(H,51,53,54)/t40-,41+,43+/m1/s1 |
| InChIKey | XOZBJGBRNNMQTO-JWZYOJHJSA-N |
| Mol Weight | 766.8 g/mol |
| Molecular Formula | C47H37F3N2O5 |
| Exact Mass | 766.265457 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7sCaba3YVYf |
|---|---|
| Name | 5-(Trifluoromethyl)-3',5'-di-o-trityl-2'-deoxyuridine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 766.265456783 u |
| Formula | C47H37F3N2O5 |
| InChI | InChI=1S/C47H37F3N2O5/c48-47(49,50)39-32-52(44(54)51-42(39)53)41-31-40(56-45(33-19-7-1-8-20-33,34-21-9-2-10-22-34)35-23-11-3-12-24-35)43(55-41)57-46(36-25-13-4-14-26-36,37-27-15-5-16-28-37)38-29-17-6-18-30-38/h1-30,32,40-41,43H,31H2,(H,51,53,54)/t40-,41+,43+/m1/s1 |
| InChIKey | XOZBJGBRNNMQTO-JWZYOJHJSA-N |
| Molecular Weight | 766.817 g/mol |
| SMILES | C1(N(C=C(C(N1)=O)C(F)(F)F)[C@]1(O[C@@](OC(C2=CC=CC=C2)(C2=CC=CC=C2)C=2C=CC=CC2)([C@@](C1)(OC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)[H])[H])[H])=O |