| SpectraBase Compound ID | BIsfsev02CL |
|---|---|
| InChI | InChI=1S/C21H24O4/c1-4-5-14-24-20(22)18-8-6-7-9-19(18)21(23)25-17-12-10-16(11-13-17)15(2)3/h6-13,15H,4-5,14H2,1-3H3 |
| InChIKey | JSXGFIFMMIRLHK-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 | GFM86JPBoGA |
|---|---|
| Name | Phthalic acid, butyl 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/c1-4-5-14-24-20(22)18-8-6-7-9-19(18)21(23)25-17-12-10-16(11-13-17)15(2)3/h6-13,15H,4-5,14H2,1-3H3 |
| InChIKey | JSXGFIFMMIRLHK-UHFFFAOYSA-N |
| Molecular Weight | 340.419 g/mol |
| SMILES | C(C1=CC=CC=C1C(OC1=CC=C(C(C)C)C=C1)=O)(=O)OCCCC |