| SpectraBase Compound ID | E7w4iZodsuf |
|---|---|
| InChI | InChI=1S/C16H22O2/c1-13(14-5-3-2-4-6-14)15-7-9-16(10-8-15)17-11-12-18-16/h2-6,13,15H,7-12H2,1H3 |
| InChIKey | IMZDUHSSEIWCTL-UHFFFAOYSA-N |
| Mol Weight | 246.35 g/mol |
| Molecular Formula | C16H22O2 |
| Exact Mass | 246.16198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F9JINpbHLmY |
|---|---|
| Name | (rac)-4-(1-Phenylethyl)cyclo-1-hexanone ethylene ketal |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.161979946 u |
| Formula | C16H22O2 |
| InChI | InChI=1S/C16H22O2/c1-13(14-5-3-2-4-6-14)15-7-9-16(10-8-15)17-11-12-18-16/h2-6,13,15H,7-12H2,1H3 |
| InChIKey | IMZDUHSSEIWCTL-UHFFFAOYSA-N |
| Molecular Weight | 246.350 g/mol |
| SMILES | C12(OCCO2)CCC(C(C2=CC=CC=C2)C)CC1 |