| SpectraBase Compound ID | 7L8qpITyH6u |
|---|---|
| InChI | InChI=1S/C8H13N/c1-2-3-4-5-6-7-8-9/h5-6H,2-4,7H2,1H3/b6-5+ |
| InChIKey | DNKKFPSVEAVFCX-AATRIKPKSA-N |
| Mol Weight | 123.2 g/mol |
| Molecular Formula | C8H13N |
| Exact Mass | 123.104799 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1wjIFbjknis |
|---|---|
| Name | oct-3-Enenitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 123.104799423 u |
| Formula | C8H13N |
| InChI | InChI=1S/C8H13N/c1-2-3-4-5-6-7-8-9/h5-6H,2-4,7H2,1H3/b6-5+ |
| InChIKey | DNKKFPSVEAVFCX-AATRIKPKSA-N |
| Molecular Weight | 123.199 g/mol |
| SMILES | C(C\C=C\CCCC)#N |