118-29-6

N-羥甲基鄰苯二甲酰亞胺(118-29-6)質(zhì)譜(MS)

產(chǎn)品名稱:N-羥甲基鄰苯二甲酰亞胺

CAS:118-29-6

分子式:C9H7NO3

分子量: 177.16

InChI:InChI=1S/C9H7NO3/c11-5-10-8(12)6-3-1-2-4-7(6)9(10)13/h1-4,11H,5H2

InChIKey: MNSGOOCAMMSKGI-UHFFFAOYSA-N

Smiles:C1(=O)C2=C(C=CC=C2)C(=O)N1CO

Mass

MS-NW-6603          
N-(hydroxymethyl)phthalimide
C9H7NO3             (Mass of molecular ion:    177)

   Source Temperature: 160 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      18.0       2.0
      28.0       6.2
      29.0      18.6
      30.0      15.6
      37.0       4.1
      37.5       1.0
      38.0       5.5
      39.0       1.6
      45.5       2.7
      49.0       1.8
      50.0      22.8
      51.0       2.2
      52.0       4.4
      59.5       2.7
      61.0       1.1
      62.0       1.0
      63.0       1.7
      64.0       1.4
      66.0       6.1
      73.0       2.3
      73.5       1.0
      74.0      10.1
      75.0       9.5
      76.0      55.4
      77.0       5.2
      90.0       2.4
      92.0       1.1
     102.0       1.2
     103.0      17.2
     104.0      62.3
     105.0       6.8
     130.0       3.7
     147.0     100.0
     148.0      12.0
     149.0       2.6
     160.0       1.1
     177.0       4.8

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₉ H₇ N O₃	0.035 g : 0.5 ml DMSO-d₆
N-(hydroxymethyl)phthalimide

    Assign.     Shift(ppm)

      A     *1      7.921
      B     *1      7.885
      C             6.44
      D             4.989

     Hz     ppm     Int.

   3176.27   7.948     30
   3175.05   7.945     45
   3171.63   7.937    414
   3168.70   7.929    385
   3168.33   7.928    397
   3166.75   7.924    376
   3165.65   7.922    484
   3162.84   7.915    852
   3159.30   7.906    231
   3158.69   7.904    231
   3157.84   7.902    233
   3157.35   7.901    248
   3153.69   7.892    803
   3151.00   7.885    430
   3149.90   7.882    388
   3148.32   7.878    389
   3144.90   7.870    427
   3141.60   7.861     52
   3140.38   7.858     42
   2580.20   6.457    215
   2573.24   6.439    481
   2566.16   6.422    233
   1997.56   4.999    999
   1990.48   4.981   1000

in DMSO-d6