| SpectraBase Spectrum ID |
6nLbRvevmpJ |
| Name |
o-(1-Butyl-2,2-difluorovinyl)anisole |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
226.116921460 u |
| Formula |
C13H16F2O |
| InChI |
InChI=1S/C13H16F2O/c1-3-4-7-11(13(14)15)10-8-5-6-9-12(10)16-2/h5-6,8-9H,3-4,7H2,1-2H3 |
| InChIKey |
CNUHIEQYPMFOPN-UHFFFAOYSA-N |
| Molecular Weight |
226.267 g/mol |
| SMILES |
C(=C(F)F)(C=1C(OC)=CC=CC1)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.881519 |
