![5-o-[N-(Hydroxypentyl)carbamoyl]-1-(2-ddoxy-.beta.,D-ribofuranosyl)thymine](/api/spectrum/1b2RvMbsC4i/structure.png?h=300&w=458 "5-o-[N-(Hydroxypentyl)carbamoyl]-1-(2-ddoxy-.beta.,D-ribofuranosyl)thymine")
| SpectraBase Compound ID | BoGNQpcO8Q |
|---|---|
| InChI | InChI=1S/C16H25N3O7/c1-10-8-19(15(23)18-14(10)22)13-7-11(21)12(26-13)9-25-16(24)17-5-3-2-4-6-20/h8,11-13,20-21H,2-7,9H2,1H3,(H,17,24)(H,18,22,23)/t11-,12+,13?/m0/s1 |
| InChIKey | PZVDWIAJKPDLKX-LAGVYOHYSA-N |
| Mol Weight | 371.39 g/mol |
| Molecular Formula | C16H25N3O7 |
| Exact Mass | 371.16925 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1b2RvMbsC4i |
|---|---|
| Name | 5-o-[N-(Hydroxypentyl)carbamoyl]-1-(2-ddoxy-.beta.,D-ribofuranosyl)thymine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 371.169250150 u |
| Formula | C16H25N3O7 |
| InChI | InChI=1S/C16H25N3O7/c1-10-8-19(15(23)18-14(10)22)13-7-11(21)12(26-13)9-25-16(24)17-5-3-2-4-6-20/h8,11-13,20-21H,2-7,9H2,1H3,(H,17,24)(H,18,22,23)/t11-,12+,13?/m0/s1 |
| InChIKey | PZVDWIAJKPDLKX-LAGVYOHYSA-N |
| Molecular Weight | 371.390 g/mol |
| SMILES | C1(N(C=C(C(N1)=O)C)C1O[C@](COC(=O)NCCCCCO)([C@](C1)(O)[H])[H])=O |