| SpectraBase Compound ID | DszQYwxkECX |
|---|---|
| InChI | InChI=1S/C15H29N/c1-6-7-12(2)8-13(3)9-14(4)10-15(5)11-16/h12-15H,6-10H2,1-5H3/t12?,13-,14-,15+/m0/s1 |
| InChIKey | BVKDUWRLFYCNEH-WIGRTHMWSA-N |
| Mol Weight | 223.4 g/mol |
| Molecular Formula | C15H29N |
| Exact Mass | 223.23 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9vhfUta2WgQ |
|---|---|
| Name | 2,4,6,8-Tetramethylundecanitrile isomer |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 223.229999938 u |
| Formula | C15H29N |
| InChI | InChI=1S/C15H29N/c1-6-7-12(2)8-13(3)9-14(4)10-15(5)11-16/h12-15H,6-10H2,1-5H3/t12?,13-,14-,15+/m0/s1 |
| InChIKey | BVKDUWRLFYCNEH-WIGRTHMWSA-N |
| Molecular Weight | 223.404 g/mol |
| SMILES | C(#N)[C@@](C[C@](C[C@](CC(CCC)C)(C)[H])(C)[H])(C)[H] |