| SpectraBase Compound ID | 40pCeDJWogN |
|---|---|
| InChI | InChI=1S/C19H31N3O6/c1-3-4-5-6-7-8-9-20-19(26)28-14-10-16(27-15(14)12-23)22-11-13(2)17(24)21-18(22)25/h11,14-16,23H,3-10,12H2,1-2H3,(H,20,26)(H,21,24,25)/t14-,15+,16+/m0/s1 |
| InChIKey | UJLSNHQSSDFPJR-ARFHVFGLSA-N |
| Mol Weight | 397.47 g/mol |
| Molecular Formula | C19H31N3O6 |
| Exact Mass | 397.221286 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9ArZM0URDqi |
|---|---|
| Name | 3-o-(N-Octylcarbamoyl)-1-(2-deoxy-.beta.,D-ribofuranosyl)uracil |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 397.221285724 u |
| Formula | C19H31N3O6 |
| InChI | InChI=1S/C19H31N3O6/c1-3-4-5-6-7-8-9-20-19(26)28-14-10-16(27-15(14)12-23)22-11-13(2)17(24)21-18(22)25/h11,14-16,23H,3-10,12H2,1-2H3,(H,20,26)(H,21,24,25)/t14-,15+,16+/m0/s1 |
| InChIKey | UJLSNHQSSDFPJR-ARFHVFGLSA-N |
| Molecular Weight | 397.472 g/mol |
| SMILES | C1(N(C=C(C(N1)=O)C)[C@@]1(O[C@](CO)([C@](C1)(OC(=O)NCCCCCCCC)[H])[H])[H])=O |