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3,3,3-trifluoro-1-(4-nitrophenyl)propyl 2,2,2-trifluoroacetate
SpectraBase Compound ID KzAK10fpyHC
InChI InChI=1S/C11H7F6NO4/c12-10(13,14)5-8(22-9(19)11(15,16)17)6-1-3-7(4-2-6)18(20)21/h1-4,8H,5H2
InChIKey QUIGWXDSUGWCTI-UHFFFAOYSA-N
Mol Weight 331.17 g/mol
Molecular Formula C11H7F6NO4
Exact Mass 331.027927 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9wz0DErtyIk
Name 3,3,3-trifluoro-1-(4-nitrophenyl)propyl 2,2,2-trifluoroacetate
Appearance Colorless oil
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Formula C11H7F6NO4
InChI InChI=1S/C11H7F6NO4/c12-10(13,14)5-8(22-9(19)11(15,16)17)6-1-3-7(4-2-6)18(20)21/h1-4,8H,5H2
InChIKey QUIGWXDSUGWCTI-UHFFFAOYSA-N
Instrument Name SHIMADZU QP-2010SE
Ionization Type EI
Literature Reference DOI 10.1002/cjoc.201900296
Molecular Weight 331.170 g/mol
Reported Formula C11H7NO4F6
SMILES c1c(C(CC(F)(F)F)OC(C(F)(F)F)=O)ccc([N+](=O)[O-])c1
SPLASH splash10-014i-4931000000-097ffc17ad2cda1de86c
Source of Spectrum CJC-37-SM37-3a
Wiley ID 1838422