ISOPROPANOLAMINE PHOSPHATE(29868-06-2) 1H NMR
Product NameISOPROPANOLAMINE PHOSPHATE
CAS29868-06-2
Molecular FormulaC3H12NO5P
Molecular Weight173.1
InChIInChI=1S/C3H9NO.H3O4P/c1-3(5)2-4;1-5(2,3)4/h3,5H,2,4H2,1H3;(H3,1,2,3,4)
InChIKey NSTLSXSJOBWQLC-UHFFFAOYSA-N
SmilesP(O)(O)(O)=O.C(O)(C)CN
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MassMS-NW-5027 1-amino-2-propanol phosphate C3H9NO 1/2H3O4P (Mass of molecular ion: 75)
Source Temperature: 180 °C Sample Temperature: 130 °C Direct, 75 eV
15.0 2.6 17.0 2.0 18.0 8.5 19.0 1.3 26.0 1.0 27.0 4.2 28.0 11.5 29.0 3.1 30.0 100.0 31.0 13.6 32.0 6.2 39.0 1.3 41.0 3.1 42.0 5.7 43.0 3.8 44.0 1.7 45.0 8.8 56.0 3.3 57.0 1.2 60.0 5.5 75.0 1.6
90 MHz in D2O
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1H NMR 89.56 MHz C3 H9 N O 0.038 g : 0.5 ml D2O 1-amino-2-propanol phosphate 
Assign. Shift(ppm)
A 4.081 B *1 3.081 C *1 2.915 D 1.250 SOLVENT PEAK REMOVED
Hz ppm Int.373.88 4.175 48 370.19 4.134 56 367.50 4.104 65 365.25 4.079 71 363.69 4.061 64 361.44 4.036 77 358.88 4.008 65 355.19 3.966 63 288.06 3.217 53 284.38 3.176 65 274.94 3.070 230 273.25 3.052 54 271.25 3.029 201 267.44 2.987 245 258.88 2.891 194 254.31 2.840 64 245.69 2.744 63 115.06 1.285 1000 112.88 1.261 77 108.69 1.214 939
in D2O
KBr disc
nujol mull
