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6-Chloro-1,2,3,4,5,6-hexahydro-1,3-dimethyl-2,4-dioxopteridin-7-ylidene)malononitrile diethylammonium salt
SpectraBase Compound ID GLwdrYLdIy2
InChI InChI=1S/C11H7ClN6O2.C4H11N/c1-17-9-7(10(19)18(2)11(17)20)15-8(12)6(16-9)5(3-13)4-14;1-3-5-4-2/h1-2H3,(H,16,19);5H,3-4H2,1-2H3
InChIKey RLBSZCWYHKDXMJ-UHFFFAOYSA-N
Mol Weight 363.81 g/mol
Molecular Formula C15H18ClN7O2
Exact Mass 363.121051 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FXuUx3NWZgk
Name 6-Chloro-1,2,3,4,5,6-hexahydro-1,3-dimethyl-2,4-dioxopteridin-7-ylidene)malononitrile diethylammonium salt
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18ClN7O2
InChI InChI=1S/C11H7ClN6O2.C4H11N/c1-17-9-7(10(19)18(2)11(17)20)15-8(12)6(16-9)5(3-13)4-14;1-3-5-4-2/h1-2H3,(H,16,19);5H,3-4H2,1-2H3
InChIKey RLBSZCWYHKDXMJ-UHFFFAOYSA-N
Molecular Weight 363.809 g/mol
SMILES [NH2+](CC)CC.C12=C(C(=O)N(C(N2C)=O)C)N=C(Cl)C([N-]1)=C(C#N)C#N
SPLASH splash10-054o-9030000000-27b12b0fb5c686c4c5b9
Source of Spectrum O1-32-439-6
Wiley ID 819013