| SpectraBase Compound ID | K7RBwsUE82A |
|---|---|
| InChI | InChI=1S/C21H24O4/c1-2-3-4-5-11-16-24-20(22)18-14-9-10-15-19(18)21(23)25-17-12-7-6-8-13-17/h6-10,12-15H,2-5,11,16H2,1H3 |
| InChIKey | TXVFYXCLVZOHRA-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 | Kx81cZw5p7I |
|---|---|
| Name | Phthalic acid, heptyl phenyl 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/c1-2-3-4-5-11-16-24-20(22)18-14-9-10-15-19(18)21(23)25-17-12-7-6-8-13-17/h6-10,12-15H,2-5,11,16H2,1H3 |
| InChIKey | TXVFYXCLVZOHRA-UHFFFAOYSA-N |
| Molecular Weight | 340.419 g/mol |
| SMILES | CCCCCCCOC(C1=C(C=CC=C1)C(OC1=CC=CC=C1)=O)=O |