| SpectraBase Spectrum ID |
AZQCFT9d3xy |
| Name |
4-hydroxy-4-(trifluoromethyl)-1-cyclohexa-2,5-dienone |
| Alternate Name(s) |
4-hydroxy-4-(trifluoromethyl)cyclohexa-2,5-dien-1-one
4-oxidanyl-4-(trifluoromethyl)cyclohexa-2,5-dien-1-one |
| CAS Registry Number |
113281-23-5 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C7H5F3O2 |
| InChI |
InChI=1S/C7H5F3O2/c8-7(9,10)6(12)3-1-5(11)2-4-6/h1-4,12H |
| InChIKey |
FSHWPSGAOQQQAI-UHFFFAOYSA-N |
| Molecular Weight |
178.110 g/mol |
| SMILES |
OC1(C(F)(F)F)C=CC(C=C1)=O |
| SPLASH |
splash10-0a6r-0900000000-442582f4248f7bf5c249 |
| Source of Spectrum |
KC-1987-1864-14 |
| Wiley ID |
1173582 |
