![3-{[5,7,7-Trimethyl-2-(1,3,3-trimethylbutyl)octyl]oxy}propionitrile](/api/spectrum/AWb5QsqZ4KF/structure.png?h=300&w=458 "3-{[5,7,7-Trimethyl-2-(1,3,3-trimethylbutyl)octyl]oxy}propionitrile")
| SpectraBase Compound ID | BUSgdc4aEjM |
|---|---|
| InChI | InChI=1S/C21H41NO/c1-17(14-20(3,4)5)10-11-19(16-23-13-9-12-22)18(2)15-21(6,7)8/h17-19H,9-11,13-16H2,1-8H3 |
| InChIKey | YFMMVMZQWAPHQQ-UHFFFAOYSA-N |
| Mol Weight | 323.6 g/mol |
| Molecular Formula | C21H41NO |
| Exact Mass | 323.318815 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AWb5QsqZ4KF |
|---|---|
| Name | 3-{[5,7,7-trimethyl-2-(1,3,3-trimethylbutyl)octyl]oxy}propionitrile |
| Copyright | Copyright © 2009-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H41NO |
| InChI | InChI=1S/C21H41NO/c1-17(14-20(3,4)5)10-11-19(16-23-13-9-12-22)18(2)15-21(6,7)8/h17-19H,9-11,13-16H2,1-8H3 |
| InChIKey | YFMMVMZQWAPHQQ-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 50213M |
| Solvent | CDCl3 |