DIPICRYLAMINECALCIUMSALT
Product Name
DIPICRYLAMINECALCIUMSALT
CAS20324-38-3
MFC24H8CaN14O24
MW916.47772
InChIInChI=1S/2C12H4N7O12.Ca/c2*20-14(21)5-1-7(16(24)25)11(8(2-5)17(26)27)13-12-9(18(28)29)3-6(15(22)23)4-10(12)19(30)31;/h2*1-4H;/q2*-1;+2
InChIKeySUVGDJSMIKSWCO-UHFFFAOYSA-N
Smiles[Ca+2].[N-](C1=C([N+](=O)[O-])C=C([N+](=O)[O-])C=C1[N+](=O)[O-])C1=C([N+](=O)[O-])C=C([N+](=O)[O-])C=C1[N+](=O)[O-].[N-](C1=C([N+](=O)[O-])C=C([N+](=O)[O-])C=C1[N+](=O)[O-])C1=C([N+](=O)[O-])C=C([N+](=O)[O-])C=C1[N+](=O)[O-]
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Parameter ppm Hz
D(A) 8.795
Spectral Code: 1H NMR : parameter in DMSO-d6
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Spectral Code: IR : KBr disc