| SpectraBase Compound ID | 4S1w0AvAo5S |
|---|---|
| InChI | InChI=1S/C21H24O4/c1-15(2)9-8-14-24-20(22)17-11-5-6-12-18(17)21(23)25-19-13-7-4-10-16(19)3/h4-7,10-13,15H,8-9,14H2,1-3H3 |
| InChIKey | IFOYPMSFXBKUJV-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 | A6g5m5Iz985 |
|---|---|
| Name | Phthalic acid, isohexyl 2-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)9-8-14-24-20(22)17-11-5-6-12-18(17)21(23)25-19-13-7-4-10-16(19)3/h4-7,10-13,15H,8-9,14H2,1-3H3 |
| InChIKey | IFOYPMSFXBKUJV-UHFFFAOYSA-N |
| Molecular Weight | 340.419 g/mol |
| SMILES | C1=C(C(=CC=C1)C)OC(C1=C(C=CC=C1)C(=O)OCCCC(C)C)=O |