Product Name2,6,6-TRIMETHYL-1-CYCLOHEXENE-1-ACETALDEHYDE
CAS472-66-2
Molecular FormulaC11H18O
Molecular Weight166.26
InChI
InChIKey
Smiles

Mass
MS-IW-3646 (2,6,6-trimethyl-1-cyclohexenyl)acetaldehyde C11H18O (Mass of molecular ion: 166)
Source Temperature: 210 °C Sample Temperature: 160 °C Reservoir, 75 eV
27.0 11.2
28.0 1.4
29.0 11.5
39.0 19.2
40.0 3.2
41.0 44.4
42.0 2.4
43.0 19.9
50.0 1.6
51.0 6.3
52.0 2.9
53.0 16.4
54.0 1.9
55.0 29.8
56.0 2.6
57.0 10.9
58.0 1.0
63.0 2.2
65.0 8.8
66.0 2.7
67.0 31.2
68.0 4.3
69.0 25.6
70.0 2.4
71.0 2.4
77.0 16.9
78.0 3.5
79.0 23.6
80.0 3.6
81.0 78.4
82.0 10.8
83.0 4.5
84.0 1.4
85.0 1.4
91.0 26.6
92.0 4.3
93.0 18.7
94.0 3.6
95.0 61.6
96.0 9.2
97.0 2.9
98.0 1.0
103.0 1.7
105.0 16.1
106.0 2.8
107.0 94.0
108.0 12.3
109.0 23.8
110.0 6.2
111.0 2.4
115.0 1.0
117.0 1.3
119.0 2.5
120.0 1.0
121.0 11.6
122.0 16.4
123.0 58.1
124.0 7.3
125.0 1.2
131.0 1.3
133.0 35.0
134.0 4.2
135.0 2.1
136.0 2.8
137.0 40.2
138.0 5.7
139.0 1.9
148.0 1.0
151.0 100.0
152.0 16.4
153.0 2.1
166.0 33.5
167.0 4.9
177.0 2.6
400 MHz in CDCl3

| 1H NMR | 399.65 MHz |
| C11 H18 O | 0.05 ml : 0.5 ml CDCl3 |
| (2,6,6-trimethyl-1-cyclohexenyl)acetaldehyde | |
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Assign. Shift(ppm) |
Hz ppm Int.
3807.22 9.527 126
3804.93 9.521 240
3802.49 9.515 136
1238.71 3.100 150
1238.10 3.098 155
1237.49 3.097 157
1237.03 3.096 157
809.48 2.026 59
803.83 2.012 109
803.07 2.010 114
797.73 1.997 66
796.81 1.994 68
661.01 1.654 44
657.81 1.646 38
654.91 1.639 87
651.70 1.631 73
648.96 1.624 108
645.45 1.616 83
642.85 1.609 116
639.19 1.600 40
636.60 1.593 68
629.12 1.575 411
628.51 1.573 368
602.57 1.508 157
600.13 1.502 95
596.31 1.493 89
594.02 1.487 92
590.82 1.479 96
394.74 0.988 37
387.88 0.971 1000
in CDCl3

liquid film

4880 A,200 M,liquid

2,6,6-TRIMETHYL-1-CYCLOHEXENE-1-ACETALDEHYDE(472-66-2) 13C NMR Atlas of Related Products
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