| SpectraBase Compound ID | 3pptp9WWKe |
|---|---|
| InChI | InChI=1S/C23H22O2/c1-25-23(24)22(20-15-9-4-10-16-20)21(19-13-7-3-8-14-19)17-18-11-5-2-6-12-18/h2-16,21-22H,17H2,1H3 |
| InChIKey | FPPIIZODCMFVFL-UHFFFAOYSA-N |
| Mol Weight | 330.43 g/mol |
| Molecular Formula | C23H22O2 |
| Exact Mass | 330.16198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C4Uc6DF5thp |
|---|---|
| Name | 2,3,4-Triphenylbutyric acid, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.161979946 u |
| Formula | C23H22O2 |
| InChI | InChI=1S/C23H22O2/c1-25-23(24)22(20-15-9-4-10-16-20)21(19-13-7-3-8-14-19)17-18-11-5-2-6-12-18/h2-16,21-22H,17H2,1H3 |
| InChIKey | FPPIIZODCMFVFL-UHFFFAOYSA-N |
| Molecular Weight | 330.427 g/mol |
| SMILES | C=1C(=CC=CC1)CC(C=1C=CC=CC1)C(C(OC)=O)C=1C=CC=CC1 |