| SpectraBase Compound ID | JddmzHpYSEo |
|---|---|
| InChI | InChI=1S/C19H26O4/c1-3-5-7-11-15-23-19(21)17-13-9-8-12-16(17)18(20)22-14-10-6-4-2/h5,7-9,12-13H,3-4,6,10-11,14-15H2,1-2H3/b7-5+ |
| InChIKey | UQBPKRRAEVMVDB-FNORWQNLSA-N |
| Mol Weight | 318.41 g/mol |
| Molecular Formula | C19H26O4 |
| Exact Mass | 318.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | RL3W50tB6h |
|---|---|
| Name | Phthalic acid, pentyl trans-hex-3-enyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.183109313 u |
| Formula | C19H26O4 |
| InChI | InChI=1S/C19H26O4/c1-3-5-7-11-15-23-19(21)17-13-9-8-12-16(17)18(20)22-14-10-6-4-2/h5,7-9,12-13H,3-4,6,10-11,14-15H2,1-2H3/b7-5+ |
| InChIKey | UQBPKRRAEVMVDB-FNORWQNLSA-N |
| Molecular Weight | 318.413 g/mol |
| SMILES | C1(=CC=CC=C1C(OCCCCC)=O)C(OCC\C=C\CC)=O |