1517-82-4

(1R,2S,5R)-(-)-Menthyl (S)-p-toluenesulfinate(1517-82-4) IR1

Product Name(1R,2S,5R)-(-)-Menthyl (S)-p-toluenesulfinate

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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¹HNMR

IR1

Raman

(1R,2S,5R)-(-)-Menthyl (S)-p-toluenesulfinate(1517-82-4) IR1
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