| SpectraBase Compound ID | 69XQUPQc032 |
|---|---|
| InChI | InChI=1S/C16H21N/c1-16(2,3)15-11-9-14(10-12-15)8-6-4-5-7-13-17/h5,7,9-12H,4,6,8H2,1-3H3/b7-5- |
| InChIKey | XYPXOUJWFJUOHS-ALCCZGGFSA-N |
| Mol Weight | 227.35 g/mol |
| Molecular Formula | C16H21N |
| Exact Mass | 227.1674 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CxC4OQGvYXD |
|---|---|
| Name | cis-5-Cyano-1-(4-T-butylphenyl)pent-4-ene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 227.167399680 u |
| Formula | C16H21N |
| InChI | InChI=1S/C16H21N/c1-16(2,3)15-11-9-14(10-12-15)8-6-4-5-7-13-17/h5,7,9-12H,4,6,8H2,1-3H3/b7-5- |
| InChIKey | XYPXOUJWFJUOHS-ALCCZGGFSA-N |
| Molecular Weight | 227.351 g/mol |
| SMILES | C(#N)\C=C/CCCC=1C=CC(C(C)(C)C)=CC1 |