| SpectraBase Compound ID | 3v9lo8SMOPE |
|---|---|
| InChI | InChI=1S/C20H28O4/c1-4-5-6-9-14-23-19(21)17-12-7-8-13-18(17)20(22)24-15-10-11-16(2)3/h5-8,12-13,16H,4,9-11,14-15H2,1-3H3/b6-5- |
| InChIKey | AGAAXVMDJRHJHI-WAYWQWQTSA-N |
| Mol Weight | 332.44 g/mol |
| Molecular Formula | C20H28O4 |
| Exact Mass | 332.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1kIkeJVJkvb |
|---|---|
| Name | Phthalic acid, cis-hex-3-enyl isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.198759378 u |
| Formula | C20H28O4 |
| InChI | InChI=1S/C20H28O4/c1-4-5-6-9-14-23-19(21)17-12-7-8-13-18(17)20(22)24-15-10-11-16(2)3/h5-8,12-13,16H,4,9-11,14-15H2,1-3H3/b6-5- |
| InChIKey | AGAAXVMDJRHJHI-WAYWQWQTSA-N |
| Molecular Weight | 332.440 g/mol |
| SMILES | C1(=CC=CC=C1C(OCCCC(C)C)=O)C(=O)OCC\C=C/CC |