| SpectraBase Compound ID | E8o1zOKQ2tp |
|---|---|
| InChI | InChI=1S/C21H24O4/c1-4-8-16-9-5-6-12-19(16)25-21(23)18-11-7-10-17(13-18)20(22)24-14-15(2)3/h5-7,9-13,15H,4,8,14H2,1-3H3 |
| InChIKey | KEGXHUHPNAEKGY-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 | 5XayPdlw9xW |
|---|---|
| Name | Isophthalic acid, isobutyl 2-propylphenyl 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/c1-4-8-16-9-5-6-12-19(16)25-21(23)18-11-7-10-17(13-18)20(22)24-14-15(2)3/h5-7,9-13,15H,4,8,14H2,1-3H3 |
| InChIKey | KEGXHUHPNAEKGY-UHFFFAOYSA-N |
| Molecular Weight | 340.419 g/mol |
| SMILES | C1(=CC=CC(=C1)C(=O)OCC(C)C)C(OC=1C(CCC)=CC=CC1)=O |