| SpectraBase Compound ID | Eb3hpofwl78 |
|---|---|
| InChI | InChI=1S/C12H14O3/c1-8(9(2)13)5-10-3-4-11-12(6-10)15-7-14-11/h3-4,6,8H,5,7H2,1-2H3 |
| InChIKey | UKZGDVKMPYZURA-UHFFFAOYSA-N |
| Mol Weight | 206.24 g/mol |
| Molecular Formula | C12H14O3 |
| Exact Mass | 206.094294 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BIGV0lCVvEW |
|---|---|
| Name | (R)- and (S)-3-Methyl-4-(3',4'-methylenedioxyphenyl)-2-butanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.094294308 u |
| Formula | C12H14O3 |
| InChI | InChI=1S/C12H14O3/c1-8(9(2)13)5-10-3-4-11-12(6-10)15-7-14-11/h3-4,6,8H,5,7H2,1-2H3 |
| InChIKey | UKZGDVKMPYZURA-UHFFFAOYSA-N |
| Molecular Weight | 206.241 g/mol |
| SMILES | C12=CC(=CC=C2OCO1)CC(C(C)=O)C |