![Benzonitrile, 4-[[[4-(hexyloxy)phenyl]methylene]amino]-](/api/spectrum/DyT3k6TGDRb/structure.png?h=300&w=458 "Benzonitrile, 4-[[[4-(hexyloxy)phenyl]methylene]amino]-")
| SpectraBase Compound ID | 501XvORvOT8 |
|---|---|
| InChI | InChI=1S/C20H22N2O/c1-2-3-4-5-14-23-20-12-8-18(9-13-20)16-22-19-10-6-17(15-21)7-11-19/h6-13,16H,2-5,14H2,1H3/b22-16+ |
| InChIKey | YABQOLANVLHEPV-CJLVFECKSA-N |
| Mol Weight | 306.41 g/mol |
| Molecular Formula | C20H22N2O |
| Exact Mass | 306.173213 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DyT3k6TGDRb |
|---|---|
| Name | Benzonitrile, 4-[[[4-(hexyloxy)phenyl]methylene]amino]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.173213335 u |
| Formula | C20H22N2O |
| InChI | InChI=1S/C20H22N2O/c1-2-3-4-5-14-23-20-12-8-18(9-13-20)16-22-19-10-6-17(15-21)7-11-19/h6-13,16H,2-5,14H2,1H3/b22-16+ |
| InChIKey | YABQOLANVLHEPV-CJLVFECKSA-N |
| Molecular Weight | 306.409 g/mol |
| SMILES | C1(=CC=C(C=C1)OCCCCCC)\C=N\C1=CC=C(C=C1)C#N |