BIS(4-NITROPHENYL)PHOSPHORIC ACID CALCIUM SALT(10331-55-2) 13C NMR
Product NameBIS(4-NITROPHENYL)PHOSPHORIC ACID CALCIUM SALT
CAS10331-55-2
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]
400 MHz in DMSO-d6
-
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
