| SpectraBase Compound ID | 2047M39xwIM |
|---|---|
| InChI | InChI=1S/C17H24O4/c1-5-13(4)11-21-17(19)15-8-6-14(7-9-15)16(18)20-10-12(2)3/h6-9,12-13H,5,10-11H2,1-4H3 |
| InChIKey | FYAAVRDQMNRMRL-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 | KdRf0rHvfvq |
|---|---|
| Name | Terephthalic acid, isobutyl 2-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/c1-5-13(4)11-21-17(19)15-8-6-14(7-9-15)16(18)20-10-12(2)3/h6-9,12-13H,5,10-11H2,1-4H3 |
| InChIKey | FYAAVRDQMNRMRL-UHFFFAOYSA-N |
| SMILES | C(COC(C1=CC=C(C=C1)C(OCC(C)C)=O)=O)(CC)C |