| SpectraBase Compound ID | FVg1fQ7bNkv |
|---|---|
| InChI | InChI=1S/C14H17NO/c1-13(7-5-11-15)16-12-6-10-14-8-3-2-4-9-14/h2-5,7-9,13H,6,10,12H2,1H3/b7-5+ |
| InChIKey | HELJWOQVGNMHNY-FNORWQNLSA-N |
| Mol Weight | 215.3 g/mol |
| Molecular Formula | C14H17NO |
| Exact Mass | 215.131014 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8AxEspZodex |
|---|---|
| Name | (2E)-4-(3-Phenylpropoxy)pent-2-enenitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 215.131014170 u |
| Formula | C14H17NO |
| InChI | InChI=1S/C14H17NO/c1-13(7-5-11-15)16-12-6-10-14-8-3-2-4-9-14/h2-5,7-9,13H,6,10,12H2,1H3/b7-5+ |
| InChIKey | HELJWOQVGNMHNY-FNORWQNLSA-N |
| Molecular Weight | 215.296 g/mol |
| SMILES | C(\C=C\C(C)OCCCC=1C=CC=CC1)#N |