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4-Chloro-6-nitropyrimidine
SpectraBase Compound ID 4bnH5VrEwxJ
InChI InChI=1S/C4H2ClN3O2/c5-3-1-4(8(9)10)7-2-6-3/h1-2H
InChIKey DIWBTPIHCBSZTN-UHFFFAOYSA-N
Mol Weight 159.53 g/mol
Molecular Formula C4H2ClN3O2
Exact Mass 158.983554 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4bX6WJnMdYV
Name 4-Chloro-6-nitropyrimidine
Appearance Oil
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Exact Mass 158.983554014 u
Formula C4H2ClN3O2
InChI InChI=1S/C4H2ClN3O2/c5-3-1-4(8(9)10)7-2-6-3/h1-2H
InChIKey DIWBTPIHCBSZTN-UHFFFAOYSA-N
Instrument Name Shimadzu GC-14A
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0003.302
Quality 315
Reported Formula C4H2N3ClO2
SMILES C1=C(N=CN=C1[N+]([O-])=O)Cl
SPLASH splash10-03di-1900000000-4ba9a13ae65d64bad1d7
Source of Spectrum ARK-2002-33-35 (DOI: 10.3998/ark.5550190.0003.302)
Thin-Layer Chromatography 0.42 (CH2Cl2)
Wiley ID 1904613