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2,4-Diamino-6-(4-nitrophenyl)pyrimidine-5-carbonitrile
SpectraBase Compound ID G7wbtiiTGyR
InChI InChI=1S/C11H8N6O2/c12-5-8-9(15-11(14)16-10(8)13)6-1-3-7(4-2-6)17(18)19/h1-4H,(H4,13,14,15,16)
InChIKey PBHGNDGHEUYFBG-UHFFFAOYSA-N
Mol Weight 256.23 g/mol
Molecular Formula C11H8N6O2
Exact Mass 256.070874 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4c8pdNzVuYB
Name 2,4-Diamino-6-(4-nitrophenyl)pyrimidine-5-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H8N6O2
InChI InChI=1S/C11H8N6O2/c12-5-8-9(15-11(14)16-10(8)13)6-1-3-7(4-2-6)17(18)19/h1-4H,(H4,13,14,15,16)
InChIKey PBHGNDGHEUYFBG-UHFFFAOYSA-N
Instrument Name Shimadzu QP 1100 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2514
Molecular Weight 256.225 g/mol
SMILES Nc1nc(c(c(n1)N)C#N)-c1ccc(cc1)[N+]([O-])=O
SPLASH splash10-0fri-6970000000-4b2960cf73b0cd27c68c
Source of Spectrum Y-53-1968-5l
Wiley ID 1876724