| SpectraBase Compound ID | BjuX6gDIT4x |
|---|---|
| InChI | InChI=1S/C19H22O2/c1-21-19(20)18(14-12-16-8-4-2-5-9-16)15-13-17-10-6-3-7-11-17/h2-11,18H,12-15H2,1H3 |
| InChIKey | KJQGXTZXDKSJFM-UHFFFAOYSA-N |
| Mol Weight | 282.38 g/mol |
| Molecular Formula | C19H22O2 |
| Exact Mass | 282.16198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JxXebHHNdn1 |
|---|---|
| Name | Benzenebutanoic acid, .alpha.-(2-phenylethyl)-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.161979946 u |
| Formula | C19H22O2 |
| InChI | InChI=1S/C19H22O2/c1-21-19(20)18(14-12-16-8-4-2-5-9-16)15-13-17-10-6-3-7-11-17/h2-11,18H,12-15H2,1H3 |
| InChIKey | KJQGXTZXDKSJFM-UHFFFAOYSA-N |
| SMILES | C(=O)(C(CCC1=CC=CC=C1)CCC=1C=CC=CC1)OC |