ALLYLSULFANYL-ACETIC ACID(20600-63-9) IR1

Product NameALLYLSULFANYL-ACETIC ACID

CAS 20600-63-9

Molecular FormulaC5H8O2S

Molecular Weight132.18

InChIInChI=1S/C5H8O2S/c1-2-3-8-4-5(6)7/h2H,1,3-4H2,(H,6,7)

InChIKey BLSMRHBHPHGMSV-UHFFFAOYSA-N

SmilesC(O)(=O)CSCC=C

Request For Quotation

¹³CNMR

IR1

Mass

MS-NW-6799          
(allylthio)acetic acid
C5H8O2S             (Mass of molecular ion:    132)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      14.0       1.4
      15.0       1.8
      18.0       2.2
      26.0       1.1
      27.0       4.6
      28.0       2.8
      29.0       1.5
      31.0       2.0
      37.0       1.8
      38.0       3.8
      39.0      30.2
      40.0       3.8
      41.0      64.5
      42.0       5.8
      43.0       1.5
      44.0       4.3
      45.0      43.3
      46.0      10.8
      47.0      14.9
      53.0       4.3
      57.0       2.3
      58.0       1.3
      59.0       2.8
      60.0       7.7
      61.0       1.1
      69.0       1.3
      71.0       5.1
      72.0       7.8
      73.0     100.0
      74.0       5.6
      75.0       5.0
      77.0       2.0
      85.0       4.1
      86.0       2.5
      87.0      15.5
      88.0       1.1
     114.0       1.0
     132.0      47.3
     133.0       3.5
     134.0       2.6

in CDCl3

liquid film

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