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tert-butyl 3,4,6-trifluoro-2-iodobenzoate
SpectraBase Compound ID 6ywEKICVwkI
InChI InChI=1S/C11H10F3IO2/c1-11(2,3)17-10(16)7-5(12)4-6(13)8(14)9(7)15/h4H,1-3H3
InChIKey UNWOAERPDHACOS-UHFFFAOYSA-N
Mol Weight 358.1 g/mol
Molecular Formula C11H10F3IO2
Exact Mass 357.967759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FDi2ZTlXwyn
Name tert-butyl 3,4,6-trifluoro-2-iodobenzoate
Appearance Brown solid
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Exact Mass 357.967759049 u
Formula C11H10F3IO2
InChI InChI=1S/C11H10F3IO2/c1-11(2,3)17-10(16)7-5(12)4-6(13)8(14)9(7)15/h4H,1-3H3
InChIKey UNWOAERPDHACOS-UHFFFAOYSA-N
Instrument Name FINNIGAN MAT 95Q
Ionization Type EI
Literature Reference DOI 10.1002/anie.202206176
Molecular Weight 358.099 g/mol
Quality 140
Reported Formula C11H10F3IO2
SMILES C=1(F)C(=CC(=C(C1I)C(=O)OC(C)(C)C)F)F
SPLASH splash10-0a4l-7059000000-51a16d1a516660493845
Source of Spectrum ACI-61-SM36-9r (DOI: 10.1002/anie.202206176)
Wiley ID 1897761