| SpectraBase Compound ID | Bh3mDbx8l9Q |
|---|---|
| InChI | InChI=1S/C15H16O4/c1-8-5-12-14(9(2)7-18-12)13-6-10(15(17)19-13)3-4-11(8)16/h5-7,11,13,16H,3-4H2,1-2H3/b8-5-/t11-,13-/m1/s1 |
| InChIKey | JWFQYTGNEFSYSJ-AXIGGGFBSA-N |
| Mol Weight | 260.29 g/mol |
| Molecular Formula | C15H16O4 |
| Exact Mass | 260.104859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AXcKpFdPLdv |
|---|---|
| Name | Deacetylzeylanine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 260.104858991 u |
| Formula | C15H16O4 |
| InChI | InChI=1S/C15H16O4/c1-8-5-12-14(9(2)7-18-12)13-6-10(15(17)19-13)3-4-11(8)16/h5-7,11,13,16H,3-4H2,1-2H3/b8-5-/t11-,13-/m1/s1 |
| InChIKey | JWFQYTGNEFSYSJ-AXIGGGFBSA-N |
| Molecular Weight | 260.289 g/mol |
| SMILES | C12=C([C@@]3(OC(=O)C(=C3)CC[C@](\C(=C/1)C)(O)[H])[H])C(C)=CO2 |