| SpectraBase Compound ID | AE58pLvI4LM |
|---|---|
| InChI | InChI=1S/C15H23N/c1-12(6-5-11-16)7-9-14-10-8-13(2)15(14,3)4/h7-8,14H,5-6,9-10H2,1-4H3/b12-7+ |
| InChIKey | AZDPQCUMJKQEQL-KPKJPENVSA-N |
| Mol Weight | 217.36 g/mol |
| Molecular Formula | C15H23N |
| Exact Mass | 217.18305 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BUQiqQMTGIk |
|---|---|
| Name | (E)-4-Methyl-6-(2,2,3-trimethylcyclopent-3-enyl)hex-4-enenitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 217.183049745 u |
| Formula | C15H23N |
| InChI | InChI=1S/C15H23N/c1-12(6-5-11-16)7-9-14-10-8-13(2)15(14,3)4/h7-8,14H,5-6,9-10H2,1-4H3/b12-7+ |
| InChIKey | AZDPQCUMJKQEQL-KPKJPENVSA-N |
| Molecular Weight | 217.356 g/mol |
| SMILES | C1(C\C=C\(CCC#N)C)CC=C(C1(C)C)C |