![(-)-[alphaS-2-oxocyclohexyl)benzyl]malonic acid, dimethyl ester](/api/spectrum/C5YOfZCnd1R/structure.png?h=300&w=458 "(-)-[alphaS-2-oxocyclohexyl)benzyl]malonic acid, dimethyl ester")
| SpectraBase Compound ID | Lgn5IXzTA2w |
|---|---|
| InChI | InChI=1S/C18H22O5/c1-22-17(20)16(18(21)23-2)15(12-8-4-3-5-9-12)13-10-6-7-11-14(13)19/h3-5,8-9,13,15-16H,6-7,10-11H2,1-2H3 |
| InChIKey | ZMWVSJFPBZSFFZ-UHFFFAOYSA-N |
| Mol Weight | 318.37 g/mol |
| Molecular Formula | C18H22O5 |
| Exact Mass | 318.146724 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C5YOfZCnd1R |
|---|---|
| Name | (-)-[alphaS-2-oxocyclohexyl)benzyl]malonic acid, dimethyl ester |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H22O5 |
| InChI | InChI=1S/C18H22O5/c1-22-17(20)16(18(21)23-2)15(12-8-4-3-5-9-12)13-10-6-7-11-14(13)19/h3-5,8-9,13,15-16H,6-7,10-11H2,1-2H3 |
| InChIKey | ZMWVSJFPBZSFFZ-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 43191M |
| Solvent | CDCl3 |