| SpectraBase Compound ID | 9v8iZ6CHg0z |
|---|---|
| InChI | InChI=1S/C21H24O4/c1-2-3-16-24-20(22)10-7-11-21(23)25-19-14-12-18(13-15-19)17-8-5-4-6-9-17/h4-6,8-9,12-15H,2-3,7,10-11,16H2,1H3 |
| InChIKey | GTNOLZQJQNHVRY-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 | JBGLhHSDmyv |
|---|---|
| Name | Glutaric acid, 4-biphenyl butyl 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/c1-2-3-16-24-20(22)10-7-11-21(23)25-19-14-12-18(13-15-19)17-8-5-4-6-9-17/h4-6,8-9,12-15H,2-3,7,10-11,16H2,1H3 |
| InChIKey | GTNOLZQJQNHVRY-UHFFFAOYSA-N |
| Molecular Weight | 340.419 g/mol |
| SMILES | C1=CC=CC(=C1)C1=CC=C(C=C1)OC(CCCC(OCCCC)=O)=O |