| SpectraBase Compound ID | Hsvmk3adypx |
|---|---|
| InChI | InChI=1S/C13H15N/c1-2-3-7-13(10-11-14)12-8-5-4-6-9-12/h4-6,8-10H,2-3,7H2,1H3/b13-10+ |
| InChIKey | IUBAVCJIJNSDFX-JLHYYAGUSA-N |
| Mol Weight | 185.27 g/mol |
| Molecular Formula | C13H15N |
| Exact Mass | 185.120449 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CTZWhAPwSWM |
|---|---|
| Name | (E)-3-Phenyl-2-heptenenitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 185.120449487 u |
| Formula | C13H15N |
| InChI | InChI=1S/C13H15N/c1-2-3-7-13(10-11-14)12-8-5-4-6-9-12/h4-6,8-10H,2-3,7H2,1H3/b13-10+ |
| InChIKey | IUBAVCJIJNSDFX-JLHYYAGUSA-N |
| Molecular Weight | 185.270 g/mol |
| SMILES | C1(=CC=CC=C1)\C(CCCC)=C\C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.953724 |