| SpectraBase Compound ID | 2zUor40n1wz |
|---|---|
| InChI | InChI=1S/C21H24O4/c1-15(2)8-7-13-24-20(22)18-11-4-5-12-19(18)21(23)25-17-10-6-9-16(3)14-17/h4-6,9-12,14-15H,7-8,13H2,1-3H3 |
| InChIKey | SIWKLQNFENMCAF-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 | CE5YyCJCiqS |
|---|---|
| Name | Phthalic acid, isohexyl 3-methylphenyl 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/c1-15(2)8-7-13-24-20(22)18-11-4-5-12-19(18)21(23)25-17-10-6-9-16(3)14-17/h4-6,9-12,14-15H,7-8,13H2,1-3H3 |
| InChIKey | SIWKLQNFENMCAF-UHFFFAOYSA-N |
| Molecular Weight | 340.419 g/mol |
| SMILES | C(OC1=CC=CC(=C1)C)(=O)C1=C(C=CC=C1)C(OCCCC(C)C)=O |