| SpectraBase Compound ID | 6HpIbyNr9UI |
|---|---|
| InChI | InChI=1S/C15H21NO/c1-4-15(2,3)13-7-9-14(10-8-13)17-12-6-5-11-16/h7-10H,4-6,12H2,1-3H3 |
| InChIKey | PCROZRQWJIJFKC-UHFFFAOYSA-N |
| Mol Weight | 231.34 g/mol |
| Molecular Formula | C15H21NO |
| Exact Mass | 231.162314 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DBj0hLZd3ku |
|---|---|
| Name | 4-(4-Tertiary-amylphenoxy)butyronitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 231.162314299 u |
| Formula | C15H21NO |
| InChI | InChI=1S/C15H21NO/c1-4-15(2,3)13-7-9-14(10-8-13)17-12-6-5-11-16/h7-10H,4-6,12H2,1-3H3 |
| InChIKey | PCROZRQWJIJFKC-UHFFFAOYSA-N |
| Molecular Weight | 231.339 g/mol |
| SMILES | C(#N)CCCOC1=CC=C(C(CC)(C)C)C=C1 |