| SpectraBase Compound ID | 44p7z644G7t |
|---|---|
| InChI | InChI=1S/C16H20O4/c1-11(2)9-19-15(17)13-7-5-6-8-14(13)16(18)20-10-12(3)4/h5-8,12H,1,9-10H2,2-4H3 |
| InChIKey | RUGXJKRXAZIUDA-UHFFFAOYSA-N |
| Mol Weight | 276.33 g/mol |
| Molecular Formula | C16H20O4 |
| Exact Mass | 276.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EkQw6qw51fF |
|---|---|
| Name | Phthalic acid, isobutyl 2-methylallyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.136159120 u |
| Formula | C16H20O4 |
| InChI | InChI=1S/C16H20O4/c1-11(2)9-19-15(17)13-7-5-6-8-14(13)16(18)20-10-12(3)4/h5-8,12H,1,9-10H2,2-4H3 |
| InChIKey | RUGXJKRXAZIUDA-UHFFFAOYSA-N |
| SMILES | C(OC(C1=C(C=CC=C1)C(=O)OCC(C)=C)=O)C(C)C |