![1-(4-Hydroxy-3-[(2Z)-4-hydroxy-3-methyl-2-butenyl]phenyl)ethanone](/api/spectrum/Dq65cRONdvi/structure.png?h=300&w=458 "1-(4-Hydroxy-3-[(2Z)-4-hydroxy-3-methyl-2-butenyl]phenyl)ethanone")
| SpectraBase Compound ID | 1xp7ei2pStX |
|---|---|
| InChI | InChI=1S/C13H16O3/c1-9(8-14)3-4-12-7-11(10(2)15)5-6-13(12)16/h3,5-7,14,16H,4,8H2,1-2H3/b9-3+ |
| InChIKey | VJMQHXVUFSIHDR-YCRREMRBSA-N |
| Mol Weight | 220.27 g/mol |
| Molecular Formula | C13H16O3 |
| Exact Mass | 220.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Dq65cRONdvi |
|---|---|
| Name | 1-(4-Hydroxy-3-[(2Z)-4-hydroxy-3-methyl-2-butenyl]phenyl)ethanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.109944372 u |
| Formula | C13H16O3 |
| InChI | InChI=1S/C13H16O3/c1-9(8-14)3-4-12-7-11(10(2)15)5-6-13(12)16/h3,5-7,14,16H,4,8H2,1-2H3/b9-3+ |
| InChIKey | VJMQHXVUFSIHDR-YCRREMRBSA-N |
| Molecular Weight | 220.268 g/mol |
| SMILES | CC(=O)C1=CC(C\C=C/(C)CO)=C(O)C=C1 |