| SpectraBase Spectrum ID |
IAwaFw8tyY3 |
| Name |
Cyclobutane, 3-bromo-1-fluoro-1,2-dimethyl-, (1.alpha.,2.beta.,3.alpha.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
179.994991485 u |
| Formula |
C6H10BrF |
| InChI |
InChI=1S/C6H10BrF/c1-4-5(7)3-6(4,2)8/h4-5H,3H2,1-2H3/t4-,5+,6+/m0/s1 |
| InChIKey |
SOXWVORIGRTABZ-KVQBGUIXSA-N |
| Molecular Weight |
181.048 g/mol |
| SMILES |
[C@@]1(C[C@]([C@@]1(C)[H])(Br)[H])(F)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.885528 |
