| SpectraBase Compound ID | 3atilYKnh4D |
|---|---|
| InChI | InChI=1S/C21H23N3O7/c1-13(25)29-12-17-16(30-14(2)26)8-9-19(31-17)24-11-10-18(23-21(24)28)22-20(27)15-6-4-3-5-7-15/h3-7,10-11,16-17,19H,8-9,12H2,1-2H3,(H,22,23,27,28)/t16-,17-,19-/m1/s1 |
| InChIKey | LATUNJRLEUAQFD-ZHALLVOQSA-N |
| Mol Weight | 429.43 g/mol |
| Molecular Formula | C21H23N3O7 |
| Exact Mass | 429.1536 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9H6FdpUsWaS |
|---|---|
| Name | N(4)-Benzoyl-1-(4',6'-di-o-acetyl-2',3'-dideoxy-.beta.-D-glucopyranosyl)cytosine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 429.153600086 u |
| Formula | C21H23N3O7 |
| InChI | InChI=1S/C21H23N3O7/c1-13(25)29-12-17-16(30-14(2)26)8-9-19(31-17)24-11-10-18(23-21(24)28)22-20(27)15-6-4-3-5-7-15/h3-7,10-11,16-17,19H,8-9,12H2,1-2H3,(H,22,23,27,28)/t16-,17-,19-/m1/s1 |
| InChIKey | LATUNJRLEUAQFD-ZHALLVOQSA-N |
| Molecular Weight | 429.429 g/mol |
| SMILES | C1(N(C=CC(=N1)NC(=O)C1=CC=CC=C1)[C@@]1(O[C@](COC(=O)C)([C@@](CC1)(OC(=O)C)[H])[H])[H])=O |