P-NITROPHENYL PHOSPHATE DI(TRIS) SALT(68189-42-4) 1H NMR
Molecular FormulaC14H28N3O12P
Molecular Weight461.36
InChIInChI=1S/C6H6NO6P.2C4H11NO3/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12;2*5-4(1-6,2-7)3-8/h1-4H,(H2,10,11,12);2*6-8H,1-3,5H2
InChIKey XXAXKCWOTRABOW-UHFFFAOYSA-N
SmilesC(N)(CO)(CO)CO.C(N)(CO)(CO)CO.P(=O)(O)(O)OC1=CC=C([N+]([O-])=O)C=C1
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Assign. Shift(ppm)
A 8.240
B 7.341
C 3.725
Spectral Code: 1H NMR : 400 MHz in D2O
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ppm Int. Assign.
161.15 89 1 P-31
160.91 89 1 P-31
142.72 144 2
126.55 452 3
120.93 213 4 P-31
120.72 203 4 P-31
62.16 437 5
60.25 1000 6
Spectral Code: 13C NMR : D2O
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Spectral Code: IR : nujol mull