![[1,1'-Bicyclohexyl]-4-carboxylic acid, 4',4'-dimethoxy-, methyl ester](/api/spectrum/5RLm9I4INg6/structure.png?h=300&w=458 "[1,1'-Bicyclohexyl]-4-carboxylic acid, 4',4'-dimethoxy-, methyl ester")
| SpectraBase Compound ID | 1Sfts9Vw5n8 |
|---|---|
| InChI | InChI=1S/C16H28O4/c1-17-15(18-2)7-3-13(4-8-15)14-5-9-16(10-6-14)19-11-12-20-16/h13-14H,3-12H2,1-2H3 |
| InChIKey | KNHSCYSXTJCLJZ-UHFFFAOYSA-N |
| Mol Weight | 284.4 g/mol |
| Molecular Formula | C16H28O4 |
| Exact Mass | 284.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5RLm9I4INg6 |
|---|---|
| Name | [1,1'-Bicyclohexyl]-4-carboxylic acid, 4',4'-dimethoxy-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.198759378 u |
| Formula | C16H28O4 |
| InChI | InChI=1S/C16H28O4/c1-17-15(18-2)7-3-13(4-8-15)14-5-9-16(10-6-14)19-11-12-20-16/h13-14H,3-12H2,1-2H3 |
| InChIKey | KNHSCYSXTJCLJZ-UHFFFAOYSA-N |
| SMILES | C12(OCCO2)CCC(CC1)C1CCC(CC1)(OC)OC |