| SpectraBase Compound ID | LTBP1CgOxeO |
|---|---|
| InChI | InChI=1S/C13H23N/c1-3-5-9-13(10-6-4-2)11-7-8-12-14/h11H,3-10H2,1-2H3 |
| InChIKey | IGWPYERPFLYXED-UHFFFAOYSA-N |
| Mol Weight | 193.33 g/mol |
| Molecular Formula | C13H23N |
| Exact Mass | 193.18305 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2XbRkpwkxfp |
|---|---|
| Name | 4-Nonenenitrile, 5-butyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 193.183049745 u |
| Formula | C13H23N |
| InChI | InChI=1S/C13H23N/c1-3-5-9-13(10-6-4-2)11-7-8-12-14/h11H,3-10H2,1-2H3 |
| InChIKey | IGWPYERPFLYXED-UHFFFAOYSA-N |
| Molecular Weight | 193.334 g/mol |
| SMILES | C(#N)CCC=C(CCCC)CCCC |