1-Propanol(71-23-8) 1H NMR
Product Name1-Propanol
CAS71-23-8
Molecular FormulaC3H8O
Molecular Weight60.1
InChIInChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3
InChIKey BDERNNFJNOPAEC-UHFFFAOYSA-N
SmilesC(O)CC
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MassMS2014-05103CW 1-propanol C3H8O (Mass of molecular ion: 60)
Source Temperature: 250 °C Sample Temperature: 250 °C Reservoir, 70 eV
15.0 1.2 26.0 3.3 27.0 12.7 28.0 9.5 29.0 7.1 30.0 1.7 31.0 100.0 32.0 2.5 33.0 1.2 37.0 1.0 38.0 1.8 39.0 6.7 40.0 1.6 41.0 10.2 42.0 15.6 43.0 3.6 45.0 2.5 57.0 2.3 59.0 26.4 60.0 15.5
90 MHz in CDCl3
in CDCl3
in CD3CN
in CD3OD
in DMSO-d6
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1H NMR 89.56 MHz C3 H8 O 0.04 ml : 0.5 ml CDCl3 1-propanol 
Assign. Shift(ppm)
A 3.582 B 2.26 C 1.57 D 0.94 J(A,C)=6.6HZ.
Hz ppm Int.327.56 3.658 431 321.06 3.585 906 314.38 3.511 501 199.25 2.225 322 159.31 1.779 30 153.69 1.717 49 152.13 1.699 143 147.38 1.646 59 145.81 1.629 216 144.94 1.619 209 144.38 1.613 127 141.06 1.576 31 139.19 1.555 151 138.25 1.544 300 137.13 1.532 82 133.44 1.490 39 132.56 1.481 47 131.38 1.467 204 130.75 1.460 103 125.19 1.398 60 124.13 1.386 53 91.06 1.017 259 90.31 1.009 508 89.63 1.001 341 83.44 0.932 1000 82.69 0.924 516 76.56 0.855 152 75.69 0.846 289 74.56 0.833 182
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-
-
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in DMSO-d6
in CD3OD
in CDCl3
in CD3CN
CCl4 solution
liquid film
4880 A,100M,liquid
