| SpectraBase Compound ID | 8fvlyI2aJfb |
|---|---|
| InChI | InChI=1S/C21H24O4/c1-14(2)13-24-20(22)17-5-7-18(8-6-17)21(23)25-19-11-9-16(10-12-19)15(3)4/h5-12,14-15H,13H2,1-4H3 |
| InChIKey | VMDDVJBQRVRNLH-UHFFFAOYSA-N |
| Mol Weight | 340.42 g/mol |
| Molecular Formula | C21H24O4 |
| Exact Mass | 340.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D4sy49xM6Gm |
|---|---|
| Name | Terephthalic acid, isobutyl 4-isopropylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.167459249 u |
| Formula | C21H24O4 |
| InChI | InChI=1S/C21H24O4/c1-14(2)13-24-20(22)17-5-7-18(8-6-17)21(23)25-19-11-9-16(10-12-19)15(3)4/h5-12,14-15H,13H2,1-4H3 |
| InChIKey | VMDDVJBQRVRNLH-UHFFFAOYSA-N |
| Molecular Weight | 340.419 g/mol |
| SMILES | C1=C(C=CC(=C1)C(OCC(C)C)=O)C(OC1=CC=C(C(C)C)C=C1)=O |