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3,4-Bis-(2,6-difluorophenyl-2,5-dinitrohexane
SpectraBase Compound ID 7QU7EtImRCj
InChI InChI=1S/C18H16F4N2O4/c1-9(23(25)26)15(17-11(19)5-3-6-12(17)20)16(10(2)24(27)28)18-13(21)7-4-8-14(18)22/h3-10,15-16H,1-2H3
InChIKey QMKSRCODDQLYMN-UHFFFAOYSA-N
Mol Weight 400.33 g/mol
Molecular Formula C18H16F4N2O4
Exact Mass 400.10462 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GAgCtgPqUkb
Name 3,4-Bis-(2,6-difluorophenyl-2,5-dinitrohexane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16F4N2O4
InChI InChI=1S/C18H16F4N2O4/c1-9(23(25)26)15(17-11(19)5-3-6-12(17)20)16(10(2)24(27)28)18-13(21)7-4-8-14(18)22/h3-10,15-16H,1-2H3
InChIKey QMKSRCODDQLYMN-UHFFFAOYSA-N
Instrument Name Varian 1400 and 3400/GC-8A-Finnigan MAT CH7A and MAT 8230
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.11.131
Molecular Weight 400.330 g/mol
SMILES c1(F)cccc(c1C(C(C)[N+](=O)[O-])C(C(C)[N+](=O)[O-])c1c(F)cccc1F)F
SPLASH splash10-0udi-0900000000-87a29282131e616ef141
Source of Spectrum BJO-11-SM27-29
Wiley ID 1851479