| SpectraBase Compound ID | HdOj9QVrXRe |
|---|---|
| InChI | InChI=1S/C13H21N/c1-11-7-6-9-13(2,3)12(11)8-4-5-10-14/h4-9H2,1-3H3 |
| InChIKey | FVKMACAXLARLIV-UHFFFAOYSA-N |
| Mol Weight | 191.32 g/mol |
| Molecular Formula | C13H21N |
| Exact Mass | 191.1674 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ACU7BF4KCAJ |
|---|---|
| Name | 3-(2',6',6'-Trimethylcyclohex-1'-en-1'-yl)propylcyanide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 191.167399680 u |
| Formula | C13H21N |
| InChI | InChI=1S/C13H21N/c1-11-7-6-9-13(2,3)12(11)8-4-5-10-14/h4-9H2,1-3H3 |
| InChIKey | FVKMACAXLARLIV-UHFFFAOYSA-N |
| Molecular Weight | 191.318 g/mol |
| SMILES | C1(=C(CCCC1(C)C)C)CCCC#N |