| SpectraBase Compound ID | Juqf9z7pKHW |
|---|---|
| InChI | InChI=1S/C19H28O4/c1-5-13-22-18(20)16-9-11-17(12-10-16)19(21)23-15(4)8-6-7-14(2)3/h9-12,14-15H,5-8,13H2,1-4H3 |
| InChIKey | BWKJMPVOKDUZAL-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 | Li1oJ7dLAM2 |
|---|---|
| Name | Terephthalic acid, 6-methylhept-2-yl propyl 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/c1-5-13-22-18(20)16-9-11-17(12-10-16)19(21)23-15(4)8-6-7-14(2)3/h9-12,14-15H,5-8,13H2,1-4H3 |
| InChIKey | BWKJMPVOKDUZAL-UHFFFAOYSA-N |
| Molecular Weight | 320.429 g/mol |
| SMILES | C1(=CC=C(C=C1)C(OCCC)=O)C(=O)OC(C)CCCC(C)C |