| SpectraBase Compound ID | KaPfOfRJmKv |
|---|---|
| InChI | InChI=1S/C21H24O4/c1-2-3-4-5-9-15-24-20(22)17-11-10-12-18(16-17)21(23)25-19-13-7-6-8-14-19/h6-8,10-14,16H,2-5,9,15H2,1H3 |
| InChIKey | GLDSZGGCAJIJAX-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 | LKQbbiJxsBN |
|---|---|
| Name | Isophthalic 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/c1-2-3-4-5-9-15-24-20(22)17-11-10-12-18(16-17)21(23)25-19-13-7-6-8-14-19/h6-8,10-14,16H,2-5,9,15H2,1H3 |
| InChIKey | GLDSZGGCAJIJAX-UHFFFAOYSA-N |
| Molecular Weight | 340.419 g/mol |
| SMILES | C1(=CC=CC=C1)OC(C1=CC(=CC=C1)C(OCCCCCCC)=O)=O |