(1R,2S,5R)-(-)-MENTHYL (S)-P-TOLUENESULFINATE(1517-82-4) Raman
Molecular FormulaC17H26O2S
Molecular Weight294.45
InChIInChI=1/C17H26O2S/c1-12(2)16-10-7-14(4)11-17(16)19-20(18)15-8-5-13(3)6-9-15/h5-6,8-9,12,14,16-17H,7,10-11H2,1-4H3/t14-,16+,17-,20+/s3
InChIKey NQICGNSARVCSGJ-RWUAKMQBNA-N
SmilesC1([S@](O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)=O)=CC=C(C)C=C1 |&1:1,3,5,9,r|
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Mass
MS-IW-4019
(1R,2S,5R)-(-)-menthyl (S)-p-toluenesulfinate
C17H26O2S (Mass of molecular ion: 294)
Source Temperature: 110 °C
Sample Temperature: 100 °C
Direct, 75 eV
27.0 3.3
29.0 5.1
39.0 4.5
41.0 17.7
42.0 1.7
43.0 15.5
45.0 1.7
51.0 1.0
53.0 2.5
54.0 1.7
55.0 29.9
56.0 4.6
57.0 33.3
58.0 1.7
63.0 1.1
65.0 5.1
67.0 9.7
68.0 3.5
69.0 34.2
70.0 3.5
71.0 17.7
72.0 1.0
77.0 3.1
78.0 1.1
79.0 3.0
80.0 3.4
81.0 28.9
82.0 10.6
83.0 100.0
84.0 7.0
85.0 1.8
89.0 1.1
91.0 13.0
92.0 6.3
93.0 1.8
94.0 2.0
95.0 21.9
96.0 7.4
97.0 15.2
98.0 1.2
107.0 1.1
109.0 3.1
110.0 1.2
123.0 9.7
124.0 1.7
137.0 1.3
138.0 18.3
139.0 55.9
140.0 6.7
141.0 1.2
155.0 2.4
157.0 8.4
278.0 2.8