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(2E,4E,6E)-3,6-bis(Trifluoromethyl)-octa-2,4,6-triene-1,8-dioic Acid
SpectraBase Compound ID 9f60BKJJUB1
InChI InChI=1S/C10H6F6O4/c11-9(12,13)5(3-7(17)18)1-2-6(4-8(19)20)10(14,15)16/h1-4H,(H,17,18)(H,19,20)/b2-1+,5-3+,6-4+
InChIKey VXKPTXABUCYQRI-CRQXNEITSA-N
Mol Weight 304.14 g/mol
Molecular Formula C10H6F6O4
Exact Mass 304.017028 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5cf7imDHpZC
Name (2E,4E,6E)-3,6-bis(Trifluoromethyl)-octa-2,4,6-triene-1,8-dioic Acid
Alternate Name(s) (2E,4E,6E)-3,6-bis(trifluoromethyl)-2,4,6-octatrienedioic acid
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Formula C10H6F6O4
InChI InChI=1S/C10H6F6O4/c11-9(12,13)5(3-7(17)18)1-2-6(4-8(19)20)10(14,15)16/h1-4H,(H,17,18)(H,19,20)/b2-1+,5-3+,6-4+
InChIKey VXKPTXABUCYQRI-CRQXNEITSA-N
Molecular Weight 304.144 g/mol
SMILES OC(\C=C/(\C=C\C(=C/C(=O)O)C(F)(F)F)C(F)(F)F)=O
SPLASH splash10-0ap0-8890000000-1f5356211b61553349e2
Source of Spectrum C4-27-438-5
Wiley ID 1612593