| SpectraBase Compound ID | KsnimpfSx0h |
|---|---|
| InChI | InChI=1S/C12H13N/c1-11(7-5-6-10-13)12-8-3-2-4-9-12/h2-5,7-9,11H,6H2,1H3/b7-5- |
| InChIKey | JKGXZANIEXBVHG-ALCCZGGFSA-N |
| Mol Weight | 171.24 g/mol |
| Molecular Formula | C12H13N |
| Exact Mass | 171.104799 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | XGwTWjWsLq |
|---|---|
| Name | (Z)-5-Phenylhex-3-enenitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 171.104799423 u |
| Formula | C12H13N |
| InChI | InChI=1S/C12H13N/c1-11(7-5-6-10-13)12-8-3-2-4-9-12/h2-5,7-9,11H,6H2,1H3/b7-5- |
| InChIKey | JKGXZANIEXBVHG-ALCCZGGFSA-N |
| Molecular Weight | 171.243 g/mol |
| SMILES | C1=CC(C(C)\C=C/CC#N)=CC=C1 |