| SpectraBase Compound ID | KRrSZ8HEdXO |
|---|---|
| InChI | InChI=1S/C19H28O4/c1-14(2)6-5-12-22-18(20)16-7-9-17(10-8-16)19(21)23-13-11-15(3)4/h7-10,14-15H,5-6,11-13H2,1-4H3 |
| InChIKey | GRLVGRXXYBTYNG-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 | 2gMuos2UDI9 |
|---|---|
| Name | Terephthalic acid, isohexyl 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/c1-14(2)6-5-12-22-18(20)16-7-9-17(10-8-16)19(21)23-13-11-15(3)4/h7-10,14-15H,5-6,11-13H2,1-4H3 |
| InChIKey | GRLVGRXXYBTYNG-UHFFFAOYSA-N |
| Molecular Weight | 320.429 g/mol |
| SMILES | C1=C(C=CC(=C1)C(OCCC(C)C)=O)C(OCCCC(C)C)=O |