| SpectraBase Compound ID | BIRriEWHd6F |
|---|---|
| InChI | InChI=1S/C12H14O3/c1-8(2)4-5-9-10(13)6-7-11(14)12(9)15-3/h4,6-7H,5H2,1-3H3 |
| InChIKey | BFSMKZSZJIFPAP-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 | 73bB5WgD0gj |
|---|---|
| Name | 2-Methoxy-3-(3-methyl-2-buten-1-yl)-1,4-benzoquinone |
| 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(2)4-5-9-10(13)6-7-11(14)12(9)15-3/h4,6-7H,5H2,1-3H3 |
| InChIKey | BFSMKZSZJIFPAP-UHFFFAOYSA-N |
| Molecular Weight | 206.241 g/mol |
| SMILES | C1(=C(C(=O)C=CC1=O)OC)CC=C(C)C |