| SpectraBase Compound ID | Gr8AfHiVBGq |
|---|---|
| InChI | InChI=1S/C20H22O4/c1-3-9-15-10-5-8-13-18(15)24-20(22)17-12-7-6-11-16(17)19(21)23-14-4-2/h5-8,10-13H,3-4,9,14H2,1-2H3 |
| InChIKey | YAYZBIVHXTZOQO-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 | CFVJgJu7pOX |
|---|---|
| Name | Phthalic acid, propyl 2-propylphenyl 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/c1-3-9-15-10-5-8-13-18(15)24-20(22)17-12-7-6-11-16(17)19(21)23-14-4-2/h5-8,10-13H,3-4,9,14H2,1-2H3 |
| InChIKey | YAYZBIVHXTZOQO-UHFFFAOYSA-N |
| Molecular Weight | 326.392 g/mol |
| SMILES | C1(=CC=CC=C1C(OCCC)=O)C(OC=1C(CCC)=CC=CC1)=O |