| SpectraBase Compound ID | 4sDcZEXQtbB |
|---|---|
| InChI | InChI=1S/C19H22O2/c1-15(17-11-7-4-8-12-17)13-18(19(20)21-2)14-16-9-5-3-6-10-16/h3-12,15,18H,13-14H2,1-2H3 |
| InChIKey | PGJJKBXEPDZPLL-UHFFFAOYSA-N |
| Mol Weight | 282.38 g/mol |
| Molecular Formula | C19H22O2 |
| Exact Mass | 282.16198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 34BmNxSGOGl |
|---|---|
| Name | Methyl 2-(phenylmethyl)-4-phenylpentanoate isomer |
| 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/c1-15(17-11-7-4-8-12-17)13-18(19(20)21-2)14-16-9-5-3-6-10-16/h3-12,15,18H,13-14H2,1-2H3 |
| InChIKey | PGJJKBXEPDZPLL-UHFFFAOYSA-N |
| SMILES | C(C(CC(C1=CC=CC=C1)C)CC1=CC=CC=C1)(=O)OC |