| SpectraBase Compound ID | 3khQRQ8Mean |
|---|---|
| InChI | InChI=1S/C20H22O4/c1-15(2)9-8-14-23-19(21)17-12-6-7-13-18(17)20(22)24-16-10-4-3-5-11-16/h3-7,10-13,15H,8-9,14H2,1-2H3 |
| InChIKey | SPCYKGASWUEQRZ-UHFFFAOYSA-N |
| Mol Weight | 326.39 g/mol |
| Molecular Formula | C20H22O4 |
| Exact Mass | 326.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AdUAtKslhem |
|---|---|
| Name | Phthalic acid, isohexyl phenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.151809184 u |
| Formula | C20H22O4 |
| InChI | InChI=1S/C20H22O4/c1-15(2)9-8-14-23-19(21)17-12-6-7-13-18(17)20(22)24-16-10-4-3-5-11-16/h3-7,10-13,15H,8-9,14H2,1-2H3 |
| InChIKey | SPCYKGASWUEQRZ-UHFFFAOYSA-N |
| Molecular Weight | 326.392 g/mol |
| SMILES | C(OC(C1=C(C=CC=C1)C(OC=1C=CC=CC1)=O)=O)CCC(C)C |