| SpectraBase Compound ID | 794p7J2LLW6 |
|---|---|
| InChI | InChI=1S/C18H16O5/c1-21-16-9-12(10-17-18(16)23-8-7-22-17)5-6-15(20)13-3-2-4-14(19)11-13/h2-6,9-11,19H,7-8H2,1H3/b6-5+ |
| InChIKey | XZGIIJBYNSBRMX-AATRIKPKSA-N |
| Mol Weight | 312.32 g/mol |
| Molecular Formula | C18H16O5 |
| Exact Mass | 312.099774 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2uDzmrAdOZm |
|---|---|
| Name | 1-(3-Hydroxyphenyl)-3-(8-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.099773610 u |
| Formula | C18H16O5 |
| InChI | InChI=1S/C18H16O5/c1-21-16-9-12(10-17-18(16)23-8-7-22-17)5-6-15(20)13-3-2-4-14(19)11-13/h2-6,9-11,19H,7-8H2,1H3/b6-5+ |
| InChIKey | XZGIIJBYNSBRMX-AATRIKPKSA-N |
| SMILES | C12=C(C=C(\C=C\C(C3=CC(O)=CC=C3)=O)C=C1OC)OCCO2 |