| SpectraBase Compound ID | C8F5xtPzvqU |
|---|---|
| InChI | InChI=1S/C13H16O2/c1-8(2)5-6-11-7-12(14)9(3)10(4)13(11)15/h5,7H,6H2,1-4H3 |
| InChIKey | VBFJJMPOYIKNHB-UHFFFAOYSA-N |
| Mol Weight | 204.27 g/mol |
| Molecular Formula | C13H16O2 |
| Exact Mass | 204.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LBWkFzNqYMy |
|---|---|
| Name | 2,3-Dimethyl-5-(3-methylbut-2-enyl)-1,4-benzoquinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.115029753 u |
| Formula | C13H16O2 |
| InChI | InChI=1S/C13H16O2/c1-8(2)5-6-11-7-12(14)9(3)10(4)13(11)15/h5,7H,6H2,1-4H3 |
| InChIKey | VBFJJMPOYIKNHB-UHFFFAOYSA-N |
| Molecular Weight | 204.269 g/mol |
| SMILES | C1(=C(C(=O)C=C(C1=O)CC=C(C)C)C)C |