| SpectraBase Compound ID | K3O2Y0GlQDT |
|---|---|
| InChI | InChI=1S/C19H22O3/c1-14(2)18(22-15(3)20)19(21,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-14,18,21H,1-3H3/t18-/m0/s1 |
| InChIKey | SGGCGDJWXFGIQA-SFHVURJKSA-N |
| Mol Weight | 298.38 g/mol |
| Molecular Formula | C19H22O3 |
| Exact Mass | 298.156895 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7ATeOLvhTNb |
|---|---|
| Name | (S)-3-Methyl-1,1-diphenyl-1,2-butanediol-2-acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.156894565 u |
| Formula | C19H22O3 |
| InChI | InChI=1S/C19H22O3/c1-14(2)18(22-15(3)20)19(21,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-14,18,21H,1-3H3/t18-/m0/s1 |
| InChIKey | SGGCGDJWXFGIQA-SFHVURJKSA-N |
| SMILES | C([C@@](OC(=O)C)(C(C)C)[H])(C1=CC=CC=C1)(C=1C=CC=CC1)O |