| SpectraBase Compound ID | Hjkdg58Jkpt |
|---|---|
| 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/h5-9,13H,10-11H2,1-4H3 |
| InChIKey | QJYSSHXSZHKYMQ-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 | 3RCBGQjvw3N |
|---|---|
| Name | Phthalic acid, isobutyl 3-methylbut-2-en-1-yl 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/h5-9,13H,10-11H2,1-4H3 |
| InChIKey | QJYSSHXSZHKYMQ-UHFFFAOYSA-N |
| SMILES | C1(=C(C=CC=C1)C(OCC=C(C)C)=O)C(OCC(C)C)=O |