10331-55-2

BIS(4-NITROPHENYL)PHOSPHORIC ACID CALCIUM SALT(10331-55-2) IR2

Product NameBIS(4-NITROPHENYL)PHOSPHORIC ACID CALCIUM SALT

Molecular FormulaC12H11CaN2O8P

Molecular Weight382.28

InChIInChI=1S/2C12H9N2O8P.Ca/c2*15-13(16)9-1-5-11(6-2-9)21-23(19,20)22-12-7-3-10(4-8-12)14(17)18;/h2*1-8H,(H,19,20);/q;;+2/p-2

InChIKey DMVNXWRPLOWKPA-UHFFFAOYSA-L

SmilesP([O-])(=O)(OC1C=CC([N+](=O)[O-])=CC=1)OC1=CC=C([N+]([O-])=O)C=C1.P([O-])(=O)(OC1C=CC([N+]([O-])=O)=CC=1)OC1C=CC([N+]([O-])=O)=CC=1.[Ca+2]

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400 MHz in DMSO-d6

BIS(4-NITROPHENYL)PHOSPHORIC ACID CALCIUM SALT(10331-55-2) IR2

¹H NMR	399.65 MHz
C₂₄ H₁₆ Ca N₄ O₁₆ P₂	saturated in DMSO-d₆
bis(p-nitrophenyl)phosphoric acid calcium salt

    Assign.     Shift(ppm)

      A             8.152
      B             7.414

     Hz     ppm     Int.

   3266.60   8.174     92
   3263.18   8.166    932
   3261.35   8.161    291
   3256.10   8.148    314
   3254.27   8.143   1000
   3250.98   8.135    108
   2971.31   7.435     92
   2970.58   7.433     99
   2967.90   7.427    803
   2967.29   7.425    813
   2965.70   7.421    278
   2965.09   7.420    236
   2960.94   7.409    251
   2960.08   7.407    294
   2958.62   7.404    815
   2955.32   7.395     88
   2954.59   7.393     76

in DMSO-d6

KBr disc

nujol mull

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