| SpectraBase Compound ID | ERdV3iZHIZQ |
|---|---|
| InChI | InChI=1S/C16H14O5/c1-3-10-20-13-7-4-11-5-8-15(18)21-16(11)12(13)6-9-14(17)19-2/h3-9H,1,10H2,2H3/b9-6+ |
| InChIKey | RIDKSUWHHJHZQP-RMKNXTFCSA-N |
| Mol Weight | 286.28 g/mol |
| Molecular Formula | C16H14O5 |
| Exact Mass | 286.084124 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DCg44ymZQ4g |
|---|---|
| Name | (E)-3-(2-oxo-7-Prop-2-enoxy-1-benzopyran-8-yl)-2-propenoic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.084123546 u |
| Formula | C16H14O5 |
| InChI | InChI=1S/C16H14O5/c1-3-10-20-13-7-4-11-5-8-15(18)21-16(11)12(13)6-9-14(17)19-2/h3-9H,1,10H2,2H3/b9-6+ |
| InChIKey | RIDKSUWHHJHZQP-RMKNXTFCSA-N |
| SMILES | C=1(C=2OC(=O)C=CC2C=CC1OCC=C)\C=C\C(=O)OC |