| SpectraBase Spectrum ID |
KCEI7j7sCmI |
| Name |
4-[4,5-dibromo-3,6-diketo-2-(trifluoromethyl)cyclohexa-1,4-dien-1-yl]cyclohexanecarboxylic acid methyl ester |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H13Br2F3O4 |
| InChI |
InChI=1S/C15H13Br2F3O4/c1-24-14(23)7-4-2-6(3-5-7)8-9(15(18,19)20)13(22)11(17)10(16)12(8)21/h6-7H,2-5H2,1H3/t6-,7- |
| InChIKey |
NAXQWKRIFGVLOZ-LJGSYFOKSA-N |
| Molecular Weight |
474.068 g/mol |
| SMILES |
C1(=C(C(=O)C(=C(C1=O)Br)Br)[C@]1(CC[C@](C(=O)OC)(CC1)[H])[H])C(F)(F)F |
| SPLASH |
splash10-03k9-0000900000-d4b80fa54eaf1fde6dff |
| Source of Spectrum |
J-62-8675-16 |
| Synonyms |
4-[4,5-dibromo-3,6-dioxo-2-(trifluoromethyl)-1-cyclohexa-1,4-dienyl]-1-cyclohexanecarboxylic acid methyl ester
methyl 4-[4,5-bis(bromanyl)-3,6-bis(oxidanylidene)-2-(trifluoromethyl)cyclohexa-1,4-dien-1-yl]cyclohexane-1-carboxylate
methyl 4-[4,5-dibromo-3,6-dioxo-2-(trifluoromethyl)cyclohexa-1,4-dien-1-yl]cyclohexane-1-carboxylate
methyl 4-[4,5-dibromo-3,6-dioxo-2-(trifluoromethyl)cyclohexa-1,4-dien-1-yl]cyclohexanecarboxylate |
| Wiley ID |
1393199 |
![4-[4,5-dibromo-3,6-diketo-2-(trifluoromethyl)cyclohexa-1,4-dien-1-yl]cyclohexanecarboxylic acid methyl ester](/api/spectrum/KCEI7j7sCmI/structure.png?h=300&w=458 "4-[4,5-dibromo-3,6-diketo-2-(trifluoromethyl)cyclohexa-1,4-dien-1-yl]cyclohexanecarboxylic acid methyl ester")
