| SpectraBase Compound ID | 8XgGYv4k3Fk |
|---|---|
| InChI | InChI=1S/C6H9N/c1-2-3-4-5-6-7/h4-5H,2-3H2,1H3/b5-4+ |
| InChIKey | CSAZMTWHVNCILA-SNAWJCMRSA-N |
| Mol Weight | 95.14 g/mol |
| Molecular Formula | C6H9N |
| Exact Mass | 95.073499 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7kfcJXJApNe |
|---|---|
| Name | A-m-Propylacrylonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 95.073499294 u |
| Formula | C6H9N |
| InChI | InChI=1S/C6H9N/c1-2-3-4-5-6-7/h4-5H,2-3H2,1H3/b5-4+ |
| InChIKey | CSAZMTWHVNCILA-SNAWJCMRSA-N |
| Molecular Weight | 95.145 g/mol |
| SMILES | C(#N)\C=C\CCC |