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3,3,4,4,4-pentafluoro-1-(4-nitrophenyl)butyl 2,2,2-trifluoroacetate
SpectraBase Compound ID G2KnGUdiGTh
InChI InChI=1S/C12H7F8NO4/c13-10(14,12(18,19)20)5-8(25-9(22)11(15,16)17)6-1-3-7(4-2-6)21(23)24/h1-4,8H,5H2
InChIKey IMWYHIKVPSSLFK-UHFFFAOYSA-N
Mol Weight 381.18 g/mol
Molecular Formula C12H7F8NO4
Exact Mass 381.024733 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID NmTrDKATfl
Name 3,3,4,4,4-pentafluoro-1-(4-nitrophenyl)butyl 2,2,2-trifluoroacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H7F8NO4
InChI InChI=1S/C12H7F8NO4/c13-10(14,12(18,19)20)5-8(25-9(22)11(15,16)17)6-1-3-7(4-2-6)21(23)24/h1-4,8H,5H2
InChIKey IMWYHIKVPSSLFK-UHFFFAOYSA-N
Instrument Name SHIMADZU QP-2010SE
Ionization Type EI
Literature Reference DOI 10.1002/cjoc.201900296
Molecular Weight 381.178 g/mol
SMILES c1cc(ccc1C(OC(=O)C(F)(F)F)CC(C(F)(F)F)(F)F)[N+]([O-])=O
SPLASH splash10-014i-5963000000-e27e3902087e46b2736e
Source of Spectrum CJC-37-SM36-5ea
Wiley ID 1838424