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2R,5R,6R-5-Iodo-2-(t-butyl)-6-(trifluoromethyl)-1,3-dioxan-4-one
SpectraBase Compound ID Jn26ogJvFtM
InChI InChI=1S/C9H12F3IO3/c1-8(2,3)7-15-5(9(10,11)12)4(13)6(14)16-7/h4-5,7H,1-3H3/t4-,5+,7-/m1/s1
InChIKey RYQHPEUWIIDNHU-JCGDXUMPSA-N
Mol Weight 352.09 g/mol
Molecular Formula C9H12F3IO3
Exact Mass 351.978324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FcSUjEhUBtQ
Name 2R,5R,6R-5-Iodo-2-(t-butyl)-6-(trifluoromethyl)-1,3-dioxan-4-one
Alternate Name(s) (2R,5R,6R)-2-tert-butyl-5-iodo-6-(trifluoromethyl)-1,3-dioxan-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12F3IO3
InChI InChI=1S/C9H12F3IO3/c1-8(2,3)7-15-5(9(10,11)12)4(13)6(14)16-7/h4-5,7H,1-3H3/t4-,5+,7-/m1/s1
InChIKey RYQHPEUWIIDNHU-JCGDXUMPSA-N
Molecular Weight 352.092 g/mol
SMILES [C@]1(O[C@@](C(C)(C)C)(OC([C@@]1(I)[H])=O)[H])(C(F)(F)F)[H]
SPLASH splash10-052b-9070000000-420bf0aa4c5c891f8ead
Source of Spectrum K-127-574-16
Wiley ID 1342836