1
|
6-methoxy-2,6-dimethyloctanal
|
|
929253-05-4
|
0.75
|
-12.75
|
15.39
(28.14)
|
-8.85
|
-7.60
(1.25)
|
-10.09
|
2
|
3-chloro-4-methoxy
benzaldehyde
|
|
4903-09-7
|
2.42
|
-10.20
|
19.44
(29.63)
|
-8.45
|
-5.87
(2.58)
|
-9.71
|
3
|
benzaldehyde
|
|
100-52-7
|
1.62
|
-11.38
|
18.68
(30.06)
|
-7.55
|
-6.72
(0.84)
|
-10.75
|
4
|
1-(3-chlorophenyl) propan-1-one
|
|
34841-35-5
|
6.14
|
-4.40
|
25.15
(29.55)
|
-1.35
|
-0.78
(0.57)
|
-2.38
|
5
|
5-methylhexane-2,3-dione
|
|
13706-86-0
|
1.67
|
-13.01
|
20.63
(33.64)
|
-1.04
|
0.38
(1.42)
|
-9.54
|
|
|
|
|
3.09
|
-9.68
|
20.24
(29.92)
|
-4.61
|
-4.60
(0.01)
|
-8.63
|
6
|
2-methyl-1-phenyl
butane-1,3-dione
|
|
6668-24-2
|
3.07
|
-0.98
|
27.35
(28.33)
|
3.81
|
3.94
(0.12)
|
2.07
|
|
|
|
|
14.58
|
-3.92
|
21.15
(25.07)
|
-2.42
|
-2.16
(0.26)
|
-4.44
|
7
|
6-nonenal
|
|
2277-19-2
|
1.36
|
-11.14
|
15.33
(26.47)
|
-7.08
|
-6.67
(0.41)
|
-9.64
|
8
|
2,2,6,6-tetramethyl
heptane-3,5-dione
|
|
1118-71-4
|
7.37
|
3.66
|
25.33
(21.66)
|
-2.56
|
-2.43
(0.13)
|
-6.55
|
9
|
butane-2,3-dione
|
|
431-03-8
|
1.24
|
-14.24
|
19.82
(34.06)
|
-0.81
|
-0.68
(0.13)
|
-2.57
|
10
|
4,4,4-trifluoro-1-phenylbutane-1,3-dione
|
|
326-06-7
|
-*
|
-
|
24.31
(24.31)
|
11.76
|
12.43
(0.67)
|
-5.42
|
|
|
|
|
25.86
|
14.56
|
37.24
(22.68)
|
7.93
|
7.96
(0.03)
|
5.52
|
11
|
2-methylundecanal
|
|
110-41-8
|
0.87
|
-12.32
|
14.87
(27.19)
|
-7.03
|
-6.08
(0.96)
|
-10.06
|
12
|
2-phenylpropanal
|
|
93-53-8
|
1.42
|
-11.88
|
17.25
(29.13)
|
-7.57
|
-2.20
(5.37)
|
-11.14
|
13
|
undec-10-enal
|
|
112-45-8
|
1.35
|
-11.24
|
15.55
(26.79)
|
-7.13
|
-6.65
(0.48)
|
-9.61
|
14
|
1-(2,3,4,5-tetramethylphenyl)butane-1,3-dione
|
|
167998-73-4
|
7.65
|
0.02
|
20.70
(20.67)
|
2.51
|
5.40
(2.89)
|
-3.16
|
|
|
|
|
18.02
|
2.22
|
27.91
(25.69)
|
-6.23
|
-5.72
(0.52)
|
-6.96
|
15
|
2-phenyl acetaldehyde
|
|
122-78-1
|
2.03
|
-9.57
|
18.34
(27.91)
|
-6.74
|
-0.98
(5.76)
|
-10.46
|
16
|
glyoxal
|
|
107-22-2
|
-*
|
-
|
31.54
(31.54)
|
-**
|
-
|
-2.45
|
17
|
methyl 2-oxopropanoate
|
|
600-22-6
|
1.14
|
-3.64
|
17.85
(21.49)
|
0.45
|
2.21
(1.75)
|
-3.33
|
|
|
|
|
13.08
|
10.53
|
37.43
(26.90)
|
9.92
|
12.83
(2.91)
|
12.00
|
18
|
2-bromo-5-hydroxy benzaldehyde
|
|
2973-80-0
|
1.71
|
-12.97
|
17.88
(30.85)
|
-6.30
|
-5.21
(1.10)
|
-11.97
|
19
|
N-(4-methoxyphenyl)-3-oxobutanamide
|
|
5437-98-9
|
4.10
|
-7.59
|
16.87
(24.45)
|
3.15
|
6.05
(2.91)
|
-2.63
|
|
|
|
|
16.10
|
10.46
|
39.45
(28.99)
|
-0.67
|
-0.62
(0.06)
|
-0.80
|
20
|
acetyl benzoyl
|
|
579-07-7
|
3.83
|
-12.58
|
22.51
(35.09)
|
-1.83
|
-1.24
(0.59)
|
-1.96
|
|
|
|
|
8.35
|
-8.38
|
21.76
(30.14)
|
4.61
|
5.30
(0.69)
|
1.72
|
21
|
glutaraldehyde
|
|
111-30-8
|
7.56
|
-2.94
|
23.03
(25.97)
|
-5.28
|
-5.16
(0.12)
|
-6.50
|
22
|
1,3-butanedione,
1-phenyl-
|
|
93-91-4
|
9.30
|
-3.04
|
23.87
(26.91)
|
5.35
|
11.70
(6.35)
|
-0.33
|
|
|
|
|
21.30
|
9.88
|
28.62
(18.74)
|
3.35
|
3.51
(0.16)
|
1.61
|