| SpectraBase Compound ID | 9hmxdCaIWRc |
|---|---|
| InChI | InChI=1S/C19H26O4/c1-4-5-6-9-13-22-18(20)16-10-7-8-11-17(16)19(21)23-14-12-15(2)3/h7-8,10-11H,2,4-6,9,12-14H2,1,3H3 |
| InChIKey | GUZBUKAZVWLHIZ-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 | B3yE12VFxB0 |
|---|---|
| Name | Phthalic acid, hexyl 3-methylbut-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/c1-4-5-6-9-13-22-18(20)16-10-7-8-11-17(16)19(21)23-14-12-15(2)3/h7-8,10-11H,2,4-6,9,12-14H2,1,3H3 |
| InChIKey | GUZBUKAZVWLHIZ-UHFFFAOYSA-N |
| Molecular Weight | 318.413 g/mol |
| SMILES | C1(=CC=CC=C1C(OCCCCCC)=O)C(OCCC(C)=C)=O |