| SpectraBase Compound ID | Kct4ab93zvX |
|---|---|
| InChI | InChI=1S/C19H28O4/c1-4-5-6-7-13-22-18(20)16-8-10-17(11-9-16)19(21)23-14-12-15(2)3/h8-11,15H,4-7,12-14H2,1-3H3 |
| InChIKey | CRSXVLWPHNYFFO-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 | 6vdoSidNJ95 |
|---|---|
| Name | Terephthalic 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/c1-4-5-6-7-13-22-18(20)16-8-10-17(11-9-16)19(21)23-14-12-15(2)3/h8-11,15H,4-7,12-14H2,1-3H3 |
| InChIKey | CRSXVLWPHNYFFO-UHFFFAOYSA-N |
| Molecular Weight | 320.429 g/mol |
| SMILES | C1=C(C=CC(=C1)C(OCCC(C)C)=O)C(OCCCCCC)=O |