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2,5-Dinitro-3,4-diphenylhexane
SpectraBase Compound ID 31PqhF08So
InChI InChI=1S/C18H20N2O4/c1-13(19(21)22)17(15-9-5-3-6-10-15)18(14(2)20(23)24)16-11-7-4-8-12-16/h3-14,17-18H,1-2H3
InChIKey RSXMZFDDZYQXHA-UHFFFAOYSA-N
Mol Weight 328.37 g/mol
Molecular Formula C18H20N2O4
Exact Mass 328.142307 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2iYZdqIvykW
Name 2,5-Dinitro-3,4-diphenylhexane
Appearance Colourless oily
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20N2O4
InChI InChI=1S/C18H20N2O4/c1-13(19(21)22)17(15-9-5-3-6-10-15)18(14(2)20(23)24)16-11-7-4-8-12-16/h3-14,17-18H,1-2H3
InChIKey RSXMZFDDZYQXHA-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 328.368 g/mol
SMILES C([N+](=O)[O-])(C(C(C(C)[N+](=O)[O-])c1ccccc1)c1ccccc1)C
SPLASH splash10-014i-1900000000-82facc8eb0f5459ef670
Sample Comments dr = 10:14:2:1:3
Source of Spectrum BJO-11-SM13-2
Wiley ID 1851480