| SpectraBase Compound ID | 5psbusCcI2h |
|---|---|
| InChI | InChI=1S/C12H12O2/c1-3-6-11(13)9-10-7-4-5-8-12(10)14-2/h4-8H,1,9H2,2H3 |
| InChIKey | YTCHIAOBPREZDF-UHFFFAOYSA-N |
| Mol Weight | 188.23 g/mol |
| Molecular Formula | C12H12O2 |
| Exact Mass | 188.08373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K98PycQsNEk |
|---|---|
| Name | 1-(2-Methoxyphenyl)penta-3,4-dien-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.083729624 u |
| Formula | C12H12O2 |
| InChI | InChI=1S/C12H12O2/c1-3-6-11(13)9-10-7-4-5-8-12(10)14-2/h4-8H,1,9H2,2H3 |
| InChIKey | YTCHIAOBPREZDF-UHFFFAOYSA-N |
| Molecular Weight | 188.226 g/mol |
| SMILES | C(C(C=C=C)=O)C=1C(=CC=CC1)OC |