CIS-1,2,3,6-TETRAHYDROPHTHALIMIDE(1469-48-3) ¹H NMR

Product NameCIS-1,2,3,6-TETRAHYDROPHTHALIMIDE

CAS 1469-48-3

Molecular FormulaC8H9NO2

Molecular Weight151.16

InChIInChI=1/C8H9NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h1-2,5-6H,3-4H2,(H,9,10,11)/t5-,6+

InChIKey CIFFBTOJCKSRJY-OLQVQODUNA-N

SmilesC1(=O)[C@]2([H])[C@@]([H])(CC=CC2)C(=O)N1 |&1:2,4,r|

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Mass

MS2014-05091CW      
cis-1,2,3,6-tetrahydrophthalimide
C8H9NO2             (Mass of molecular ion:    151)

   Source Temperature: 245 °C
   Sample Temperature:  25 °C
   Direct, 70 eV

      17.0       2.2
      18.0       9.8
      26.0       2.4
      27.0       8.1
      28.0       1.7
      38.0       2.8
      39.0      15.7
      39.5       1.1
      40.0       3.1
      41.0       2.9
      43.0       1.7
      44.0       3.1
      45.0       1.9
      50.0       5.4
      51.0      10.0
      52.0       7.3
      53.0       6.4
      54.0       5.4
      55.0       1.0
      63.0       2.0
      65.0       3.8
      66.0       1.8
      70.0       2.0
      74.0       1.0
      77.0      21.2
      78.0      16.8
      79.0     100.0
      80.0      66.2
      81.0       4.7
      94.0       1.3
      96.0       4.5
     105.0       3.4
     106.0       4.4
     107.0       4.7
     108.0       4.2
     122.0      12.0
     123.0      12.9
     124.0       2.7
     136.0       2.5
     150.0       1.7
     151.0      72.7
     152.0       7.0

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₈ H₉ N O₂	0.036 g : 0.5 ml DMSO-d₆
cis-1,2,3,6-tetrahydrophthalimide

    Assign.     Shift(ppm)

      A            11.1
      B             5.872
      C             3.075
      D     *1      2.349
      E     *1      2.124

     Hz     ppm     Int.

   4439.22  11.108     56
   2359.73   5.905     78
   2358.45   5.902     63
   2357.35   5.899     67
   2350.03   5.881    952
   2347.10   5.873   1000
   2344.16   5.866    929
   2336.29   5.846     77
   2334.27   5.841     81
   1240.77   3.105     76
   1238.94   3.101     66
   1232.89   3.085    759
   1231.79   3.083    817
   1229.60   3.077    748
   1228.86   3.075    740
   1226.48   3.069    855
   1225.57   3.067    761
   1219.52   3.052     79
   1217.69   3.047     88
    958.14   2.398     31
    957.23   2.396     32
    950.63   2.379    338
    948.80   2.375    376
    946.60   2.369    369
    944.96   2.365    379
    942.94   2.360    218
    934.70   2.339    526
    933.05   2.335    515
    930.85   2.330    523
    929.02   2.325    466
    922.43   2.309     54
    868.94   2.175     39
    863.45   2.161    115
    859.05   2.150    417
    857.77   2.147    380
    855.39   2.141    428
    854.11   2.138    447
    851.91   2.132    392
    848.24   2.123    113
    847.69   2.122    113
    844.58   2.114    314
    841.83   2.107    336
    840.73   2.104    311
    838.17   2.098    271
    836.89   2.095    291
    832.49   2.084     77

in CDCl3

in DMSO-d6