| SpectraBase Compound ID | HkkMs5eNjXN |
|---|---|
| InChI | InChI=1S/C17H22O4/c1-12(2)9-10-20-16(18)14-7-5-6-8-15(14)17(19)21-11-13(3)4/h5-8,13H,1,9-11H2,2-4H3 |
| InChIKey | WAOQJPNGIFSUSC-UHFFFAOYSA-N |
| Mol Weight | 290.36 g/mol |
| Molecular Formula | C17H22O4 |
| Exact Mass | 290.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HTDzMQYeBvZ |
|---|---|
| Name | Phthalic acid, isobutyl 3-methylbut-3-enyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.151809184 u |
| Formula | C17H22O4 |
| InChI | InChI=1S/C17H22O4/c1-12(2)9-10-20-16(18)14-7-5-6-8-15(14)17(19)21-11-13(3)4/h5-8,13H,1,9-11H2,2-4H3 |
| InChIKey | WAOQJPNGIFSUSC-UHFFFAOYSA-N |
| SMILES | C1(=CC=CC=C1C(OCC(C)C)=O)C(OCCC(C)=C)=O |