| SpectraBase Compound ID | Lgv6sGNyX3V |
|---|---|
| InChI | InChI=1S/C19H28O4/c1-4-5-6-9-13-22-18(20)16-10-7-8-11-17(16)19(21)23-14-12-15(2)3/h7-8,10-11,15H,4-6,9,12-14H2,1-3H3 |
| InChIKey | UWZAREUFMFOGHN-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 | E2Tf0ix1wJN |
|---|---|
| Name | Phthalic acid, hexyl 3-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/c1-4-5-6-9-13-22-18(20)16-10-7-8-11-17(16)19(21)23-14-12-15(2)3/h7-8,10-11,15H,4-6,9,12-14H2,1-3H3 |
| InChIKey | UWZAREUFMFOGHN-UHFFFAOYSA-N |
| Molecular Weight | 320.429 g/mol |
| SMILES | C1=C(C(=CC=C1)C(OCCCCCC)=O)C(OCCC(C)C)=O |