| SpectraBase Compound ID | 3KcOLijI4iF |
|---|---|
| InChI | InChI=1S/C21H24O4/c1-4-5-8-14-24-20(22)17-11-6-7-12-18(17)21(23)25-19-13-9-10-15(2)16(19)3/h6-7,9-13H,4-5,8,14H2,1-3H3 |
| InChIKey | BWCBGCGHZNQHTK-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 | E2HI1R2qEBe |
|---|---|
| Name | Phthalic acid, 2,3-dimethylphenyl pentyl 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/c1-4-5-8-14-24-20(22)17-11-6-7-12-18(17)21(23)25-19-13-9-10-15(2)16(19)3/h6-7,9-13H,4-5,8,14H2,1-3H3 |
| InChIKey | BWCBGCGHZNQHTK-UHFFFAOYSA-N |
| Molecular Weight | 340.419 g/mol |
| SMILES | C1(=CC=CC=C1C(OCCCCC)=O)C(OC1=C(C(C)=CC=C1)C)=O |