| SpectraBase Compound ID | BtJgAL8Y1e0 |
|---|---|
| InChI | InChI=1S/C15H22O3/c1-4-5-6-13(16)9-7-12-8-10-14(17-2)15(11-12)18-3/h8,10-11H,4-7,9H2,1-3H3 |
| InChIKey | OWMYBRGRNJCGGA-UHFFFAOYSA-N |
| Mol Weight | 250.34 g/mol |
| Molecular Formula | C15H22O3 |
| Exact Mass | 250.156895 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 95juCKDLQfD |
|---|---|
| Name | 1-(3,4-Dimethoxyphenyl)heptan-3-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.156894565 u |
| Formula | C15H22O3 |
| InChI | InChI=1S/C15H22O3/c1-4-5-6-13(16)9-7-12-8-10-14(17-2)15(11-12)18-3/h8,10-11H,4-7,9H2,1-3H3 |
| InChIKey | OWMYBRGRNJCGGA-UHFFFAOYSA-N |
| Molecular Weight | 250.338 g/mol |
| SMILES | C(CC(CCCC)=O)C1=CC(=C(C=C1)OC)OC |