| SpectraBase Compound ID | IXyCrbVMDDg |
|---|---|
| InChI | InChI=1S/C14H18N2O8/c1-6-4-16(14(21)15-12(6)20)13-10(19)11(23-8(3)18)9(24-13)5-22-7(2)17/h4,9-11,13,19H,5H2,1-3H3,(H,15,20,21)/t9-,10+,11-,13-/m1/s1 |
| InChIKey | DQJUCFCBSLBXPX-LSCVPOLPSA-N |
| Mol Weight | 342.3 g/mol |
| Molecular Formula | C14H18N2O8 |
| Exact Mass | 342.106316 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 63gJLuVOgiI |
|---|---|
| Name | 1-(.beta.-D-3,5-o-Diacetyl-arabinofuranosyl)thymine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 342.106315540 u |
| Formula | C14H18N2O8 |
| InChI | InChI=1S/C14H18N2O8/c1-6-4-16(14(21)15-12(6)20)13-10(19)11(23-8(3)18)9(24-13)5-22-7(2)17/h4,9-11,13,19H,5H2,1-3H3,(H,15,20,21)/t9-,10+,11-,13-/m1/s1 |
| InChIKey | DQJUCFCBSLBXPX-LSCVPOLPSA-N |
| Molecular Weight | 342.304 g/mol |
| SMILES | [C@@]1(N2C(=O)NC(C(=C2)C)=O)([C@]([C@](OC(=O)C)([C@](O1)(COC(=O)C)[H])[H])(O)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.844436 |