20324-38-3

DIPICRYLAMINECALCIU MSALT(20324-38-3) IR1

CAS 20324-38-3

Molecular FormulaC24H8CaN14O24

Molecular Weight916.47772

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

InChIKey SUVGDJSMIKSWCO-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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¹HNMR

IR1

DIPICRYLAMINECALCIU MSALT(20324-38-3) IR1

    Parameter     ppm  Hz

      D(A)         8.795

Spectral Code: 1H NMR : parameter in DMSO-d6

Spectral Code: IR : KBr disc

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