| SpectraBase Compound ID | 76RoshEzZcu |
|---|---|
| InChI | InChI=1S/C17H24O4/c1-12(2)9-10-20-16(18)14-5-7-15(8-6-14)17(19)21-11-13(3)4/h5-8,12-13H,9-11H2,1-4H3 |
| InChIKey | OCKWJROMQCZKLM-UHFFFAOYSA-N |
| Mol Weight | 292.38 g/mol |
| Molecular Formula | C17H24O4 |
| Exact Mass | 292.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5r4weTofQGo |
|---|---|
| Name | Terephthalic acid, isobutyl 3-methylbutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 292.167459249 u |
| Formula | C17H24O4 |
| InChI | InChI=1S/C17H24O4/c1-12(2)9-10-20-16(18)14-5-7-15(8-6-14)17(19)21-11-13(3)4/h5-8,12-13H,9-11H2,1-4H3 |
| InChIKey | OCKWJROMQCZKLM-UHFFFAOYSA-N |
| SMILES | C1=C(C=CC(=C1)C(OCCC(C)C)=O)C(OCC(C)C)=O |