| SpectraBase Compound ID | D5mJw9PB9I2 |
|---|---|
| InChI | InChI=1S/C20H22O4/c1-3-4-9-14-23-19(21)16-11-6-7-12-17(16)20(22)24-18-13-8-5-10-15(18)2/h5-8,10-13H,3-4,9,14H2,1-2H3 |
| InChIKey | NZSDMRYJKGIGCR-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 | HbDYILtGcWv |
|---|---|
| Name | Phthalic acid, 2-methylphenyl pentyl 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/c1-3-4-9-14-23-19(21)16-11-6-7-12-17(16)20(22)24-18-13-8-5-10-15(18)2/h5-8,10-13H,3-4,9,14H2,1-2H3 |
| InChIKey | NZSDMRYJKGIGCR-UHFFFAOYSA-N |
| Molecular Weight | 326.392 g/mol |
| SMILES | C(C1=C(C=CC=C1)C(=O)OCCCCC)(OC1=C(C=CC=C1)C)=O |