O-PHOSPHORYLETHANOLAMINE(1071-23-4) IR2
Product NameO-PHOSPHORYLETHANOLAMINE
CAS1071-23-4
Molecular FormulaC2H8NO4P
Molecular Weight141.06
InChIInChI=1S/C2H8NO4P/c3-1-2-7-8(4,5)6/h1-3H2,(H2,4,5,6)
InChIKey SUHOOTKUPISOBE-UHFFFAOYSA-N
SmilesC(OP(O)(O)=O)CN
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MassMS-NW-5440 2-aminoethyl dihydrogen phosphate C2H8NO4P (Mass of molecular ion: 141)
Source Temperature: 210 °C Sample Temperature: 200 °C Direct, 75 eV
15.0 4.5 16.0 1.1 17.0 1.6 18.0 3.5 26.0 1.0 27.0 3.2 28.0 14.9 29.0 4.0 30.0 100.0 31.0 4.4 40.0 1.3 41.0 3.0 42.0 9.1 43.0 3.5 60.0 1.4 61.0 7.7 81.0 3.3 98.0 2.0
90 MHz in D2O
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1H NMR 89.56 MHz C2 H8 N O4 P 0.046 g : 0.5 ml D2O 2-aminoethyl dihydrogen phosphate 
Assign. Shift(ppm)
A 4.094 B 3.269 SOLVENT PEAK REMOVED
Hz ppm Int.374.69 4.184 439 369.88 4.130 656 368.31 4.113 725 364.44 4.070 847 358.19 4.000 561 297.81 3.326 852 291.94 3.260 1000 287.69 3.213 670
in D2O
KBr disc
nujol mull
