1,2-EPOXY-3-(4-NITROPHENOXY)PROPANE(5255-75-4) IR1

Product Name1,2-EPOXY-3-(4-NITROPHENOXY)PROPANE

CAS 5255-75-4

Molecular FormulaC9H9NO4

Molecular Weight195.17

InChIInChI=1S/C9H9NO4/c11-10(12)7-1-3-8(4-2-7)13-5-9-6-14-9/h1-4,9H,5-6H2

InChIKey FPIGOBKNDYAZTP-UHFFFAOYSA-N

SmilesO1CC1COC1=CC=C([N+]([O-])=O)C=C1

Request For Quotation

Mass

MS-IW-3873          
2,3-epoxypropyl p-nitrophenyl ether
C9H9NO4             (Mass of molecular ion:    195)

   Source Temperature: 140 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      15.0       1.7
      18.0       1.9
      26.0       2.7
      27.0      31.8
      28.0       5.8
      29.0      98.9
      30.0       8.6
      31.0      71.9
      37.0       1.1
      38.0       6.6
      39.0      14.1
      41.0       4.7
      42.0       1.1
      43.0       2.8
      50.0      10.7
      51.0       4.5
      52.0       2.2
      53.0       3.5
      54.0       1.2
      55.0       3.0
      56.0       1.5
      57.0     100.0
      58.0       4.3
      61.0       1.1
      62.0       4.2
      63.0      14.7
      64.0      11.7
      65.0      19.1
      66.0       1.9
      74.0       3.1
      75.0       9.7
      76.0       9.1
      77.0       2.9
      78.0       2.6
      79.0       1.7
      80.0       1.1
      81.0       5.2
      91.0       4.1
      92.0       6.0
      93.0       8.0
      94.0       1.6
     106.0       3.4
     109.0       9.5
     118.0       5.3
     119.0       1.2
     122.0       6.7
     123.0       4.2
     135.0       1.0
     139.0       8.2
     148.0       2.0
     152.0      19.8
     153.0       1.7
     165.0      16.6
     166.0       2.3
     179.0       1.7
     195.0      86.9
     196.0      10.7
     197.0       1.3

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₉ H₉ N O₄	0.035 g : 0.5 ml CDCl₃
2,3-epoxypropyl p-nitrophenyl ether

    Assign.     Shift(ppm)

      A             8.200
      B             7.002
      C     *1      4.401
      D     *1      4.010
      E             3.397
      F             2.955
      G             2.795
     
     NCLI P511
     J(C,D) = -11.2 HZ
     J(C,E) = 2.8 HZ
     J(D,E) = 6.1 HZ
     J(E,F) = 4.3 HZ
     J(E,G) = 2.7 HZ
     J(F,G) = 4.8 HZ

     Hz     ppm     Int.

   3285.40   8.221    118
   3281.98   8.213    964
   3279.66   8.207    319
   3274.78   8.195    307
   3272.58   8.189   1000
   3269.17   8.181    120
   2806.40   7.023    108
   2802.98   7.014    998
   2800.78   7.009    293
   2798.34   7.002     47
   2795.90   6.996    279
   2793.70   6.991    890
   2790.28   6.982    103
   1766.24   4.420    279
   1763.55   4.413    284
   1755.13   4.392    316
   1752.32   4.385    321
   1610.96   4.031    309
   1604.86   4.016    325
   1599.73   4.003    271
   1593.75   3.988    285
   1365.60   3.417     96
   1363.04   3.411    190
   1361.45   3.407    125
   1360.23   3.404    145
   1359.62   3.403    155
   1358.89   3.401    217
   1356.93   3.396    212
   1356.20   3.394    157
   1355.47   3.392    145
   1354.25   3.389    118
   1352.78   3.385    197
   1350.10   3.379     99
   1185.67   2.967    360
   1181.40   2.957    432
   1180.91   2.955    462
   1176.64   2.945    393
   1120.61   2.804    351
   1117.92   2.798    352
   1115.84   2.793    316
   1113.16   2.786    301

in CDCl3