| SpectraBase Compound ID | J3jusZhoSBc |
|---|---|
| InChI | InChI=1S/C12H16O3/c1-8(2)4-5-9-6-10(13)7-11(15-3)12(9)14/h6-8H,4-5H2,1-3H3 |
| InChIKey | LOQLHRCYOAQJCV-UHFFFAOYSA-N |
| Mol Weight | 208.26 g/mol |
| Molecular Formula | C12H16O3 |
| Exact Mass | 208.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FC8qvcwQCzZ |
|---|---|
| Name | p-Benzoquinone, 2-isopentyl-6-methoxy- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.109944372 u |
| Formula | C12H16O3 |
| InChI | InChI=1S/C12H16O3/c1-8(2)4-5-9-6-10(13)7-11(15-3)12(9)14/h6-8H,4-5H2,1-3H3 |
| InChIKey | LOQLHRCYOAQJCV-UHFFFAOYSA-N |
| Molecular Weight | 208.257 g/mol |
| SMILES | C=1(C(C(CCC(C)C)=CC(C1)=O)=O)OC |