| SpectraBase Spectrum ID |
FMnOJ8VP63u |
| Name |
(1R,3R)-2,2-bis(Fluoranyl)-3-phenyl-cyclopropane-1-carbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
179.054655555 u |
| Formula |
C10H7F2N |
| InChI |
InChI=1S/C10H7F2N/c11-10(12)8(6-13)9(10)7-4-2-1-3-5-7/h1-5,8-9H/t8-,9-/m0/s1 |
| InChIKey |
HXHQBMLCELLQDQ-IUCAKERBSA-N |
| Molecular Weight |
179.170 g/mol |
| SMILES |
C1([C@@](C#N)([C@@]1(C1=CC=CC=C1)[H])[H])(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.906059 |
