| SpectraBase Compound ID | J8Ek2BiyO79 |
|---|---|
| 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/h4,8-9,12-13H,2-3,5-7,10-11,14-15H2,1H3 |
| InChIKey | BMLLAEYCSKOAGC-UHFFFAOYSA-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 | HCVDuRoeQcF |
|---|---|
| Name | Phthalic acid, hexyl pent-4-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/h4,8-9,12-13H,2-3,5-7,10-11,14-15H2,1H3 |
| InChIKey | BMLLAEYCSKOAGC-UHFFFAOYSA-N |
| Molecular Weight | 318.413 g/mol |
| SMILES | C1(=CC=CC=C1C(OCCCCCC)=O)C(OCCCC=C)=O |