| SpectraBase Compound ID | KS5hePrjPkT |
|---|---|
| InChI | InChI=1S/C18H26O4/c1-5-14(6-2)12-22-18(20)16-9-7-15(8-10-16)17(19)21-11-13(3)4/h7-10,13-14H,5-6,11-12H2,1-4H3 |
| InChIKey | QSSWTONGKCOIAS-UHFFFAOYSA-N |
| Mol Weight | 306.4 g/mol |
| Molecular Formula | C18H26O4 |
| Exact Mass | 306.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bva99U1CUbx |
|---|---|
| Name | Terephthalic acid, 2-ethylbutyl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.183109313 u |
| Formula | C18H26O4 |
| InChI | InChI=1S/C18H26O4/c1-5-14(6-2)12-22-18(20)16-9-7-15(8-10-16)17(19)21-11-13(3)4/h7-10,13-14H,5-6,11-12H2,1-4H3 |
| InChIKey | QSSWTONGKCOIAS-UHFFFAOYSA-N |
| Molecular Weight | 306.402 g/mol |
| SMILES | C1=C(C=CC(=C1)C(OCC(CC)CC)=O)C(OCC(C)C)=O |