| SpectraBase Compound ID | 3MWrX1YdiCC |
|---|---|
| InChI | InChI=1S/C15H19NO4/c1-19-13-11(8-9-12(17)14(13)20-2)16-15(18)10-6-4-3-5-7-10/h3-9,11-14,17H,1-2H3,(H,16,18)/t11-,12-,13-,14+/m1/s1 |
| InChIKey | ITVJUAZRUKDJSC-SYQHCUMBSA-N |
| Mol Weight | 277.32 g/mol |
| Molecular Formula | C15H19NO4 |
| Exact Mass | 277.131408 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gj7M6TlRldi |
|---|---|
| Name | 1R-4T-Benzamido-5,6-T-dimethoxy-2-cylohexenol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 277.131408092 u |
| Formula | C15H19NO4 |
| InChI | InChI=1S/C15H19NO4/c1-19-13-11(8-9-12(17)14(13)20-2)16-15(18)10-6-4-3-5-7-10/h3-9,11-14,17H,1-2H3,(H,16,18)/t11-,12-,13-,14+/m1/s1 |
| InChIKey | ITVJUAZRUKDJSC-SYQHCUMBSA-N |
| SMILES | [C@@]1([C@](NC(=O)C2=CC=CC=C2)(C=C[C@]([C@@]1(OC)[H])(O)[H])[H])(OC)[H] |