| SpectraBase Compound ID | K8T69uixaIi |
|---|---|
| InChI | InChI=1S/C19H28O4/c1-4-6-7-10-13-22-18(20)16-11-8-9-12-17(16)19(21)23-14-15(3)5-2/h8-9,11-12,15H,4-7,10,13-14H2,1-3H3 |
| InChIKey | SPQUUOKEKWBHEH-UHFFFAOYSA-N |
| Mol Weight | 320.43 g/mol |
| Molecular Formula | C19H28O4 |
| Exact Mass | 320.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Dnm1F2oyWe4 |
|---|---|
| Name | Phthalic acid, hexyl 2-methylbutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.198759378 u |
| Formula | C19H28O4 |
| InChI | InChI=1S/C19H28O4/c1-4-6-7-10-13-22-18(20)16-11-8-9-12-17(16)19(21)23-14-15(3)5-2/h8-9,11-12,15H,4-7,10,13-14H2,1-3H3 |
| InChIKey | SPQUUOKEKWBHEH-UHFFFAOYSA-N |
| Molecular Weight | 320.429 g/mol |
| SMILES | C(C1=C(C=CC=C1)C(OCC(CC)C)=O)(OCCCCCC)=O |