| SpectraBase Compound ID | BFkFCx7djmQ |
|---|---|
| InChI | InChI=1S/C17H18O5/c1-3-4-7-10-21-17(19)16-13(11-15(18)20-2)12-8-5-6-9-14(12)22-16/h3,5-6,8-9H,1,4,7,10-11H2,2H3 |
| InChIKey | UHHUXTFPQBDBNX-UHFFFAOYSA-N |
| Mol Weight | 302.33 g/mol |
| Molecular Formula | C17H18O5 |
| Exact Mass | 302.115424 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2jquv2ir7QV |
|---|---|
| Name | 3-(2-Keto-2-methoxy-ethyl)coumarilic acid pent-4-enyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.115423675 u |
| Formula | C17H18O5 |
| InChI | InChI=1S/C17H18O5/c1-3-4-7-10-21-17(19)16-13(11-15(18)20-2)12-8-5-6-9-14(12)22-16/h3,5-6,8-9H,1,4,7,10-11H2,2H3 |
| InChIKey | UHHUXTFPQBDBNX-UHFFFAOYSA-N |
| SMILES | C1(=C(C2=CC=CC=C2O1)CC(=O)OC)C(=O)OCCCC=C |