23661-28-1

Phenyl 2,3,4,6-tetra-O-acetyl-1-thio-beta-D-glucopyranoside(23661-28-1) IR2

Product NamePhenyl 2,3,4,6-tetra-O-acetyl-1-thio-beta-D-glucopyranoside

Molecular FormulaC20H24O9S

Molecular Weight440.47

InChIInChI=1/C20H24O9S/c1-11(21)25-10-16-17(26-12(2)22)18(27-13(3)23)19(28-14(4)24)20(29-16)30-15-8-6-5-7-9-15/h5-9,16-20H,10H2,1-4H3/t16-,17-,18+,19-,20+/s3

InChIKey JCKOUAWEMPKIAT-ZVCWBQDKNA-N

Smiles[C@H]1(OC(=O)C)[C@H](OC(=O)C)[C@H](O[C@@H](SC2=CC=CC=C2)[C@@H]1OC(=O)C)COC(=O)C |&1:0,5,10,12,20,r|

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IR1

IR2

Phenyl 2,3,4,6-tetra-O-acetyl-1-thio-beta-D-glucopyranoside(23661-28-1) IR2
Mass

MS2001-00305WA      
phenyl 1-thio-beta-D-glucopyranoside tetraacetate
C20H24O9S           (Mass of molecular ion:    440)

   Source Temperature: 210 °C
   Sample Temperature:  40 °C
   Direct, 70 eV

      15.0       1.4
      18.0       1.8
      39.0       1.0
      43.0     100.0
      44.0       2.2
      45.0       1.1
      65.0       2.4
      66.0       1.1
      69.0       1.9
      73.0       1.7
      77.0       1.8
      81.0       5.8
      85.0       3.2
      97.0       6.8
      98.0       1.1
      99.0       2.5
     103.0       4.3
     109.0      63.7
     110.0      10.0
     111.0       2.0
     115.0       5.2
     123.0       3.5
     125.0       1.0
     127.0      23.9
     128.0       1.9
     135.0       1.0
     139.0       8.4
     141.0       1.1
     145.0       5.9
     151.0       1.3
     152.0       1.2
     165.0       1.4
     169.0      98.6
     170.0       8.8
     171.0       1.2
     187.0       3.4
     205.0       1.1
     211.0       4.0
     229.0       3.6
     271.0       5.5
     331.0      47.7
     332.0       7.5
     333.0       1.5

KBr disc