![4-[[(E)-hex-1-enyl]sulfanylmethyl]benzenecarbonitrile](/api/spectrum/IJJrCUjVYaS/structure.png?h=300&w=458 "4-[[(E)-hex-1-enyl]sulfanylmethyl]benzenecarbonitrile")
| SpectraBase Compound ID | 6QE3LLdxNpc |
|---|---|
| InChI | InChI=1S/C14H17NS/c1-2-3-4-5-10-16-12-14-8-6-13(11-15)7-9-14/h5-10H,2-4,12H2,1H3/b10-5+ |
| InChIKey | GQSANOZDROUYBS-BJMVGYQFSA-N |
| Mol Weight | 231.36 g/mol |
| Molecular Formula | C14H17NS |
| Exact Mass | 231.108171 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IJJrCUjVYaS |
|---|---|
| Name | 4-[[(E)-hex-1-enyl]sulfanylmethyl]benzenecarbonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 231.108170725 u |
| Formula | C14H17NS |
| InChI | InChI=1S/C14H17NS/c1-2-3-4-5-10-16-12-14-8-6-13(11-15)7-9-14/h5-10H,2-4,12H2,1H3/b10-5+ |
| InChIKey | GQSANOZDROUYBS-BJMVGYQFSA-N |
| Molecular Weight | 231.357 g/mol |
| SMILES | C(#N)C=1C=CC(=CC1)CS\C=C\CCCC |