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1,1,1-Trichloro-2,2-bis(2,5-dimethoxy-4-nitrophenyl)-ethane
SpectraBase Compound ID HQSOUZ4Mkqf
InChI InChI=1S/C18H17Cl3N2O8/c1-28-13-7-11(22(24)25)15(30-3)5-9(13)17(18(19,20)21)10-6-16(31-4)12(23(26)27)8-14(10)29-2/h5-8,17H,1-4H3
InChIKey VXMXCLWRLPWZRM-UHFFFAOYSA-N
Mol Weight 495.7 g/mol
Molecular Formula C18H17Cl3N2O8
Exact Mass 494.005049 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2l8MsINRNd2
Name 1,1,1-Trichloro-2,2-bis(2,5-dimethoxy-4-nitrophenyl)-ethane
Appearance Yellow crystals
Carrier Gas Helium (1.0 mL/min)
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Exact Mass 494.005048607 u
Formula C18H17Cl3N2O8
GC Column ATTM-5 (30 m x 0.2 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 250oC
InChI InChI=1S/C18H17Cl3N2O8/c1-28-13-7-11(22(24)25)15(30-3)5-9(13)17(18(19,20)21)10-6-16(31-4)12(23(26)27)8-14(10)29-2/h5-8,17H,1-4H3
InChIKey VXMXCLWRLPWZRM-UHFFFAOYSA-N
Instrument Name Hewlett Packard 6890 series
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0003.b13
Molecular Weight 495.699 g/mol
SMILES C1(=C(C=C(C(=C1)OC)[N+](=O)[O-])OC)C(C(Cl)(Cl)Cl)C1=CC(OC)=C([N+](=O)[O-])C=C1OC
SPLASH splash10-0002-0900000000-caf9e655a383d3ba8982
Source of Spectrum ARK-2002-138-44 (DOI: 10.3998/ark.5550190.0003.b13)
Wiley ID 1904573