| SpectraBase Compound ID | GzJD6X9g72N |
|---|---|
| InChI | InChI=1S/C17H22N2O4/c1-9-5-11-12(6-10(9)2)19(8-18-11)16-15-14(13(7-20)21-16)22-17(3,4)23-15/h5-6,8,13-16,20H,7H2,1-4H3 |
| InChIKey | GCEUJZWYNQMIAF-UHFFFAOYSA-N |
| Mol Weight | 318.37 g/mol |
| Molecular Formula | C17H22N2O4 |
| Exact Mass | 318.157957 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FXXEyX1yrdR |
|---|---|
| Name | .beta.-Riboside, 2',3'-acetone- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.157957192 u |
| Formula | C17H22N2O4 |
| InChI | InChI=1S/C17H22N2O4/c1-9-5-11-12(6-10(9)2)19(8-18-11)16-15-14(13(7-20)21-16)22-17(3,4)23-15/h5-6,8,13-16,20H,7H2,1-4H3 |
| InChIKey | GCEUJZWYNQMIAF-UHFFFAOYSA-N |
| Molecular Weight | 318.373 g/mol |
| SMILES | C12=C(C=C(C(=C2)C)C)N=CN1C1OC(C2C1OC(O2)(C)C)CO |