| SpectraBase Compound ID | 310uyVVfti4 |
|---|---|
| InChI | InChI=1S/C10H8FNO/c11-10-4-2-1-3-9(10)5-8(6-12)7-13/h1-5,13H,7H2/b8-5+ |
| InChIKey | KXDMWCHWJJPNHW-VMPITWQZSA-N |
| Mol Weight | 177.18 g/mol |
| Molecular Formula | C10H8FNO |
| Exact Mass | 177.058992 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8Kp0isPqy1 |
|---|---|
| Name | 3-(2'-Fluorophenyl)-2-cyanoallyl alcohol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 177.058992044 u |
| Formula | C10H8FNO |
| InChI | InChI=1S/C10H8FNO/c11-10-4-2-1-3-9(10)5-8(6-12)7-13/h1-5,13H,7H2/b8-5+ |
| InChIKey | KXDMWCHWJJPNHW-VMPITWQZSA-N |
| Molecular Weight | 177.178 g/mol |
| SMILES | C(\C(=C/C=1C(F)=CC=CC1)CO)#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.879149 |