![6-methyl-4-[(E)-4-phenylbut-3-enoxy]-2-pyranone](/api/spectrum/FY9C26Yyd5P/structure.png?h=300&w=458 "6-methyl-4-[(E)-4-phenylbut-3-enoxy]-2-pyranone")
| SpectraBase Compound ID | BjCLXSEbU6A |
|---|---|
| InChI | InChI=1S/C16H16O3/c1-13-11-15(12-16(17)19-13)18-10-6-5-9-14-7-3-2-4-8-14/h2-5,7-9,11-12H,6,10H2,1H3/b9-5+ |
| InChIKey | WHPLZXYIRPLEFO-WEVVVXLNSA-N |
| Mol Weight | 256.3 g/mol |
| Molecular Formula | C16H16O3 |
| Exact Mass | 256.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FY9C26Yyd5P |
|---|---|
| Name | 6-Methyl-4-[(E)-4-phenylbut-3-enoxy]-2-pyranone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.109944372 u |
| Formula | C16H16O3 |
| InChI | InChI=1S/C16H16O3/c1-13-11-15(12-16(17)19-13)18-10-6-5-9-14-7-3-2-4-8-14/h2-5,7-9,11-12H,6,10H2,1H3/b9-5+ |
| InChIKey | WHPLZXYIRPLEFO-WEVVVXLNSA-N |
| Molecular Weight | 256.301 g/mol |
| SMILES | C=1C(OC(=CC1OCC\C=C\C1=CC=CC=C1)C)=O |