| SpectraBase Spectrum ID |
5zaIsjB9bmJ |
| Name |
2,3-Dibromo-5-[4(e)-formylcyclohex-(e)-yl]-6-(trifluoromethyl)-1,4-benzoquinone |
| Alternate Name(s) |
4-[4,5-dibromo-3,6-dioxo-2-(trifluoromethyl)-1,4-cyclohexadien-1-yl]cyclohexanecarbaldehyde |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H11Br2F3O3 |
| InChI |
InChI=1S/C14H11Br2F3O3/c15-10-11(16)13(22)9(14(17,18)19)8(12(10)21)7-3-1-6(5-20)2-4-7/h5-7H,1-4H2/t6-,7- |
| InChIKey |
DLPCUHIAHNWLAJ-LJGSYFOKSA-N |
| Molecular Weight |
444.042 g/mol |
| SMILES |
C1(=C(C(=O)C(=C(C1=O)Br)Br)[C@]1(CC[C@](C=O)(CC1)[H])[H])C(F)(F)F |
| SPLASH |
splash10-002f-0000900000-40e122999242cae5acd5 |
| Source of Spectrum |
J-62-8677-28 |
| Wiley ID |
1385160 |
![2,3-Dibromo-5-[4(e)-formylcyclohex-(e)-yl]-6-(trifluoromethyl)-1,4-benzoquinone](/api/spectrum/5zaIsjB9bmJ/structure.png?h=300&w=458 "2,3-Dibromo-5-[4(e)-formylcyclohex-(e)-yl]-6-(trifluoromethyl)-1,4-benzoquinone")
