| SpectraBase Compound ID | LhcWu5kQX6B |
|---|---|
| InChI | InChI=1S/C22H26O4/c1-4-16-25-20(23)22(5-2,6-3)21(24)26-19-14-12-18(13-15-19)17-10-8-7-9-11-17/h7-15H,4-6,16H2,1-3H3 |
| InChIKey | SSSYTYLONYUNGM-UHFFFAOYSA-N |
| Mol Weight | 354.45 g/mol |
| Molecular Formula | C22H26O4 |
| Exact Mass | 354.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F6HZhSRC48Y |
|---|---|
| Name | Diethylmalonic acid, 4-biphenyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 354.183109313 u |
| Formula | C22H26O4 |
| InChI | InChI=1S/C22H26O4/c1-4-16-25-20(23)22(5-2,6-3)21(24)26-19-14-12-18(13-15-19)17-10-8-7-9-11-17/h7-15H,4-6,16H2,1-3H3 |
| InChIKey | SSSYTYLONYUNGM-UHFFFAOYSA-N |
| Molecular Weight | 354.446 g/mol |
| SMILES | CCC(C(OCCC)=O)(C(OC1=CC=C(C=C1)C1=CC=CC=C1)=O)CC |