| SpectraBase Compound ID | HVIghRrvFjn |
|---|---|
| InChI | InChI=1S/C21H24O4/c1-4-9-16-10-5-8-13-19(16)25-21(23)18-12-7-6-11-17(18)20(22)24-14-15(2)3/h5-8,10-13,15H,4,9,14H2,1-3H3 |
| InChIKey | RXMLCIGZJNAEBU-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 | LXeZRpBKzV2 |
|---|---|
| Name | Phthalic acid, isobutyl 2-propylphenyl 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/c1-4-9-16-10-5-8-13-19(16)25-21(23)18-12-7-6-11-17(18)20(22)24-14-15(2)3/h5-8,10-13,15H,4,9,14H2,1-3H3 |
| InChIKey | RXMLCIGZJNAEBU-UHFFFAOYSA-N |
| Molecular Weight | 340.419 g/mol |
| SMILES | C1(=CC=CC=C1C(OCC(C)C)=O)C(OC=1C(CCC)=CC=CC1)=O |