![2-[(1S,2R)-2-benzoyl-6-keto-cyclohexyl]acetic acid methyl ester](/api/spectrum/BIY2uRwPkjD/structure.png?h=300&w=458 "2-[(1S,2R)-2-benzoyl-6-keto-cyclohexyl]acetic acid methyl ester")
| SpectraBase Compound ID | 16AJipKV0Sb |
|---|---|
| InChI | InChI=1S/C16H18O4/c1-20-15(18)10-13-12(8-5-9-14(13)17)16(19)11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-10H2,1H3/t12-,13+/m1/s1 |
| InChIKey | LZAWHEKFKOROPD-OLZOCXBDSA-N |
| Mol Weight | 274.32 g/mol |
| Molecular Formula | C16H18O4 |
| Exact Mass | 274.120509 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 | BIY2uRwPkjD |
|---|---|
| Name | 2-[(1S,2R)-2-Benzoyl-6-keto-cyclohexyl]acetic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.120509056 u |
| Formula | C16H18O4 |
| InChI | InChI=1S/C16H18O4/c1-20-15(18)10-13-12(8-5-9-14(13)17)16(19)11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-10H2,1H3/t12-,13+/m1/s1 |
| InChIKey | LZAWHEKFKOROPD-OLZOCXBDSA-N |
| SMILES | [C@]1([C@](C(=O)C2=CC=CC=C2)(CCCC1=O)[H])(CC(=O)OC)[H] |