| SpectraBase Compound ID | fM5uhFytf8 |
|---|---|
| InChI | InChI=1S/C17H27NO3/c1-21-16(20)17(13-10-14-18)12-9-7-5-3-2-4-6-8-11-15(17)19/h2-13H2,1H3 |
| InChIKey | SFNPIWLAEBCNFJ-UHFFFAOYSA-N |
| Mol Weight | 293.41 g/mol |
| Molecular Formula | C17H27NO3 |
| Exact Mass | 293.199094 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1NWNLdmLfYx |
|---|---|
| Name | Cyclododecanecarboxylic acid, 1-(2-cyanoethyl)-2-oxo-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 293.199093730 u |
| Formula | C17H27NO3 |
| InChI | InChI=1S/C17H27NO3/c1-21-16(20)17(13-10-14-18)12-9-7-5-3-2-4-6-8-11-15(17)19/h2-13H2,1H3 |
| InChIKey | SFNPIWLAEBCNFJ-UHFFFAOYSA-N |
| Molecular Weight | 293.407 g/mol |
| SMILES | C1(C(=O)OC)(C(=O)CCCCCCCCCC1)CCC#N |