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

Mass
MS2014-05103CW 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

| 1H NMR | 89.56 MHz |
| C3 H8 O | 0.04 ml : 0.5 ml CDCl3 |
| 1-propanol | |
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Assign. Shift(ppm) |
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




in DMSO-d6
in CD3OD
in CDCl3
in CD3CN




CCl4 solution

liquid film

4880 A,100M,liquid

1-Propanol(71-23-8) IR1 Atlas of Related Products
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