| SpectraBase Compound ID | IoMkdj3n01Y |
|---|---|
| InChI | InChI=1S/C17H22O4/c1-4-5-11-20-16(18)14-8-6-7-9-15(14)17(19)21-12-10-13(2)3/h6-9H,2,4-5,10-12H2,1,3H3 |
| InChIKey | ARESCACWSBZMSC-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 | 3f8ONmOeyNa |
|---|---|
| Name | Phthalic acid, butyl 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/c1-4-5-11-20-16(18)14-8-6-7-9-15(14)17(19)21-12-10-13(2)3/h6-9H,2,4-5,10-12H2,1,3H3 |
| InChIKey | ARESCACWSBZMSC-UHFFFAOYSA-N |
| SMILES | C1(=CC=CC=C1C(OCCCC)=O)C(OCCC(C)=C)=O |