Product Name2-ISOPROPYLANILINE
CAS643-28-7
Molecular FormulaC9H13N
Molecular Weight135.21
InChIInChI=1S/C9H13N/c1-7(2)8-5-3-4-6-9(8)10/h3-7H,10H2,1-2H3
InChIKey YKOLZVXSPGIIBJ-UHFFFAOYSA-N
SmilesC1(N)=CC=CC=C1C(C)C

Mass
MS-NW-2220 o-isopropylaniline C9H13N (Mass of molecular ion: 135)
Source Temperature: 270 °C Sample Temperature: 170 °C Reservoir, 75 eV
27.0 1.8
28.0 1.3
39.0 4.4
41.0 2.4
42.0 1.9
50.0 1.0
51.0 3.0
52.0 1.7
53.0 1.3
54.0 1.0
58.5 1.9
60.0 1.9
63.0 1.7
65.0 4.7
66.0 1.8
77.0 8.9
78.0 2.0
79.0 1.3
89.0 1.0
91.0 5.9
92.0 1.9
93.0 6.3
94.0 4.3
102.0 1.1
103.0 7.2
104.0 1.3
106.0 6.0
115.0 1.4
117.0 2.6
118.0 4.8
119.0 4.0
120.0 100.0
121.0 9.5
134.0 1.7
135.0 35.9
136.0 3.6
162.0 4.0
177.0 1.5
90 MHz in CDCl3

| 1H NMR | 89.56 MHz |
| C9 H13 N | 0.04 ml : 0.5 ml CDCl3 |
| o-isopropylaniline | |
![]() |
Assign. Shift(ppm) |
Hz ppm Int.
643.38 7.184 92
642.13 7.170 38
641.63 7.165 53
636.19 7.104 79
634.38 7.084 104
628.94 7.023 89
627.06 7.002 68
621.56 6.941 91
619.69 6.920 63
613.63 6.852 54
613.19 6.847 55
611.94 6.833 74
611.56 6.829 70
606.25 6.770 50
605.81 6.765 58
604.63 6.752 69
604.25 6.747 71
599.44 6.694 100
598.94 6.688 113
597.81 6.675 80
597.38 6.671 79
591.94 6.610 52
591.44 6.604 57
590.38 6.593 48
589.94 6.588 46
317.19 3.542 53
264.94 2.959 33
258.13 2.883 45
251.31 2.807 38
114.94 1.284 1000
112.88 1.261 73
110.38 1.233 33
109.50 1.223 64
108.19 1.209 866
in CDCl3

CCl4 solution

liquid film


OXIDATION WITH PERBENZOIC ACID

2-ISOPROPYLANILINE(643-28-7) Raman Atlas of Related Products
HomePage | Member Companies | Advertising | Contact us | Previous WebSite | MSDS | CAS Index | CAS DataBase
Copyright © 2017 ChemicalBook All rights reserved.