| SpectraBase Spectrum ID |
K0P26byTkpE |
| Name |
2,2-bis(Trifluoromethyl)-2,4A,5,6,7,7A-hexahydrocyclopenta[B]pyran-4(3H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
276.058498538 u |
| Formula |
C10H10F6O2 |
| InChI |
InChI=1S/C10H10F6O2/c11-9(12,13)8(10(14,15)16)4-6(17)5-2-1-3-7(5)18-8/h5,7H,1-4H2 |
| InChIKey |
ASGZPPUVQXJLFU-UHFFFAOYSA-N |
| Molecular Weight |
276.178 g/mol |
| SMILES |
C(F)(F)(F)C1(OC2CCCC2C(C1)=O)C(F)(F)F |
| Spectrum/Structure Validation Score (Raman) |
0.714053 |
![2,2-bis(trifluoromethyl)-2,4a,5,6,7,7a-hexahydrocyclopenta[b]pyran-4(3H)-one](/api/spectrum/K0P26byTkpE/structure.png?h=300&w=458 "2,2-bis(trifluoromethyl)-2,4a,5,6,7,7a-hexahydrocyclopenta[b]pyran-4(3H)-one")
