| SpectraBase Compound ID | 7tOCllxys6L |
|---|---|
| InChI | InChI=1S/C26H23F3N2O7/c1-14-3-7-16(8-4-14)23(33)36-13-20-19(38-24(34)17-9-5-15(2)6-10-17)11-21(37-20)31-12-18(26(27,28)29)22(32)30-25(31)35/h3-10,12,19-21H,11,13H2,1-2H3,(H,30,32,35)/t19-,20+,21+/m1/s1 |
| InChIKey | QFTZSUBIJAWRPF-HKBOAZHASA-N |
| Mol Weight | 532.47 g/mol |
| Molecular Formula | C26H23F3N2O7 |
| Exact Mass | 532.145736 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | kfEzEQCBAT |
|---|---|
| Name | 2'-Deoxy-3',5'-di-o-para-tolyl-5-(trifluoromethyl)-uridine;(beta-isomer) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 532.145735571 u |
| Formula | C26H23F3N2O7 |
| InChI | InChI=1S/C26H23F3N2O7/c1-14-3-7-16(8-4-14)23(33)36-13-20-19(38-24(34)17-9-5-15(2)6-10-17)11-21(37-20)31-12-18(26(27,28)29)22(32)30-25(31)35/h3-10,12,19-21H,11,13H2,1-2H3,(H,30,32,35)/t19-,20+,21+/m1/s1 |
| InChIKey | QFTZSUBIJAWRPF-HKBOAZHASA-N |
| Molecular Weight | 532.472 g/mol |
| SMILES | C1(N(C=C(C(N1)=O)C(F)(F)F)[C@]1(O[C@]([C@@](C1)(OC(C=1C=CC(=CC1)C)=O)[H])(COC(C1=CC=C(C=C1)C)=O)[H])[H])=O |