| SpectraBase Compound ID | 8G39xz0m0Q8 |
|---|---|
| InChI | InChI=1S/C19H22O3/c1-19(2,3)18(21)22-17(15-12-8-5-9-13-15)16(20)14-10-6-4-7-11-14/h4-13,16-17,20H,1-3H3 |
| InChIKey | SGKWWENFPAJMEM-UHFFFAOYSA-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 | F8Ovj54Svf3 |
|---|---|
| Name | (S,S)-(-)-hydrobenzoin, trimethylacetate |
| 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/c1-19(2,3)18(21)22-17(15-12-8-5-9-13-15)16(20)14-10-6-4-7-11-14/h4-13,16-17,20H,1-3H3 |
| InChIKey | SGKWWENFPAJMEM-UHFFFAOYSA-N |
| SMILES | C(C(O)C1=CC=CC=C1)(OC(C(C)(C)C)=O)C1=CC=CC=C1 |