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Tris[3-(trifluoromethylhydroxymethylene)camphonato]iron(III)
SpectraBase Compound ID 3Fw8OcTNbE
InChI InChI=1S/3C12H15F3O2.Fe/c3*1-10(2)6-4-5-11(10,3)8(16)7(6)9(17)12(13,14)15;/h3*6,17H,4-5H2,1-3H3;/q;;;+3/p-3/b3*9-7-;/t3*6-,11+;/m110./s1
InChIKey RLJWABUJCDLUNY-JPZGNGOPSA-K
Mol Weight 797.6 g/mol
Molecular Formula C36H42F9FeO6
Exact Mass 797.218704 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HqEwysUAzZI
Name Tris[3-(trifluoromethylhydroxymethylene)camphonato]iron(III)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H42F9FeO6
InChI InChI=1S/3C12H15F3O2.Fe/c3*1-10(2)6-4-5-11(10,3)8(16)7(6)9(17)12(13,14)15;/h3*6,17H,4-5H2,1-3H3;/q;;;+3/p-3/b3*9-7-;/t3*6-,11+;/m110./s1
InChIKey RLJWABUJCDLUNY-JPZGNGOPSA-K
Molecular Weight 797.557 g/mol
SMILES C12=[O][Fe]34(OC(=C1[C@@]1(C([C@]2(CC1)C)(C)C)[H])C(F)(F)F)([O]=C1[C@]2(C(C)(C)[C@@](C1=C(O3)C(F)(F)F)(CC2)[H])C)[O]=C1[C@@]2(C(C)(C)[C@](C1=C(O4)C(F)(F)F)(CC2)[H])C
SPLASH splash10-0f89-0090060100-3308342fb5ee8704b75e
Source of Spectrum QA-42-854-2
Wiley ID 862055