1,2-O-Isopropylidene--L-idofuranuronic Acid -Lactone(29514-28-1) ¹H NMR

Product Name1,2-O-Isopropylidene--L-idofuranuronic Acid -Lactone

CAS 29514-28-1

Molecular FormulaC9H12O6

Molecular Weight216.19

InChIInChI=1/C9H12O6/c1-9(2)14-6-5-4(13-8(6)15-9)3(10)7(11)12-5/h3-6,8,10H,1-2H3/t3-,4-,5+,6-,8-/s3

InChIKey BDBGJSXZKMTMGP-CZVKUOOHNA-N

SmilesO1[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(=O)[C@H](O)[C@@H]12 |&1:1,7,8,12,14,r|

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Mass

MS-NW-6949          
1,2-O-isopropylidene-beta-L-idofuranurono-6,3-lactone
C9H12O6             (Mass of molecular ion:    216)

   Source Temperature: 170 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      15.0       7.7
      18.0       2.5
      19.0       2.7
      26.0       1.8
      27.0       7.2
      28.0       3.0
      29.0      13.4
      30.0       3.3
      31.0      11.5
      39.0       7.2
      40.0       1.7
      41.0      10.6
      42.0       4.3
      43.0     100.0
      44.0       4.3
      45.0       2.5
      49.0       1.4
      54.0       1.8
      55.0       5.8
      56.0       2.6
      57.0       7.9
      58.0       5.8
      59.0      53.6
      60.0       4.0
      61.0       2.5
      68.0       3.2
      69.0       4.0
      71.0      10.0
      72.0       7.1
      73.0      16.5
      81.0       1.0
      83.0       4.0
      84.0       3.0
      85.0      86.4
      86.0       5.8
      97.0       1.9
      99.0       1.4
     100.0       3.4
     101.0       3.2
     113.0       3.6
     114.0       1.5
     123.0       2.0
     127.0       6.8
     129.0       1.3
     141.0      28.5
     142.0       2.2
     158.0      12.9
     159.0       5.6
     183.0       4.2
     201.0      84.9
     202.0       7.8
     203.0       1.4

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₉ H₁₂ O₆	saturated in CDCl₃
1,2-O-isopropylidene-beta-L-idofuranurono-6,3-lactone

    Assign.     Shift(ppm)

      A             5.935
      B             5.065
      C             4.838
      D             4.796
      E             4.336
      F             3.44
      G     *1      1.523
      J     *1      1.353
     
     J(A,C)=3.7HZ
     J(B,D)=3.2HZ
     J(E,F)=3.8HZ

     Hz     ppm     Int.

   2373.78   5.940    234
   2370.12   5.931    244
   2026.12   5.070    218
   2022.95   5.062    239
   1935.67   4.844    182
   1932.01   4.835    186
   1918.33   4.801    242
   1915.16   4.793    238
   1734.74   4.341    166
   1730.96   4.332    180
   1373.05   3.436     64
    765.63   1.916     37
    608.64   1.523   1000
    540.89   1.354    996

in CDCl3

KBr disc

nujol mull

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1,2-O-Isopropylidene--L-idofuranuronic Acid -Lactone(29514-28-1) 1H NMR

1,2-O-Isopropylidene--L-idofuranuronic Acid -Lactone(29514-28-1) ¹H NMR