| SpectraBase Compound ID | 1lKL8j12wYC |
|---|---|
| InChI | InChI=1S/C21H24O4/c1-16(2)15-24-20(22)13-8-14-21(23)25-19-12-7-6-11-18(19)17-9-4-3-5-10-17/h3-7,9-12,16H,8,13-15H2,1-2H3 |
| InChIKey | QQOCROGZDQGHMT-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 | EZWFBZUpJUL |
|---|---|
| Name | Glutaric acid, 2-biphenyl isobutyl 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/c1-16(2)15-24-20(22)13-8-14-21(23)25-19-12-7-6-11-18(19)17-9-4-3-5-10-17/h3-7,9-12,16H,8,13-15H2,1-2H3 |
| InChIKey | QQOCROGZDQGHMT-UHFFFAOYSA-N |
| Molecular Weight | 340.419 g/mol |
| SMILES | C1=CC=CC(=C1)C1=C(C=CC=C1)OC(=O)CCCC(OCC(C)C)=O |