619-25-0

3-硝基苯甲醇(619-25-0)核磁圖(¹³CNMR)

產(chǎn)品名稱:3-硝基苯甲醇

CAS:619-25-0

分子式:C7H7NO3

分子量: 153.14

InChI:InChI=1S/C7H7NO3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4,9H,5H2

InChIKey: CWNPOQFCIIFQDM-UHFFFAOYSA-N

Smiles:C1(CO)=CC=CC([N+]([O-])=O)=C1

Mass

MS-NW-4696          
3-nitrobenzyl alcohol
C7H7NO3             (Mass of molecular ion:    153)

   Source Temperature: 260 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      18.0       3.9
      26.0       1.2
      27.0       7.6
      28.0       5.2
      29.0       6.3
      30.0       5.0
      31.0       8.8
      37.0       2.6
      38.0       4.1
      39.0      14.7
      40.0       1.6
      41.0       4.0
      46.0       1.1
      49.0       1.2
      50.0      15.3
      51.0      31.4
      52.0       8.3
      53.0      10.9
      53.5       1.1
      55.0       2.7
      61.0       1.7
      62.0       3.7
      63.0      12.6
      64.0       3.5
      65.0       4.2
      66.0       2.1
      67.0       2.1
      73.0       1.1
      74.0       5.4
      75.0       5.4
      76.0       8.5
      77.0     100.0
      78.0      32.4
      79.0      14.5
      80.0       1.2
      89.0      58.9
      90.0       9.6
      91.0       2.6
      92.0       2.0
      94.0       3.6
      95.0       1.1
     104.0       1.5
     105.0      18.8
     106.0      31.2
     107.0      36.2
     108.0      14.8
     109.0       1.1
     121.0       2.1
     124.0       6.2
     125.0       1.4
     135.0       1.0
     136.0      33.9
     137.0       4.4
     150.0       1.9
     151.0       1.4
     152.0       6.7
     153.0      28.9
     154.0       2.6

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₇ N O₃	0.02 ml : 0.5 ml CDCl₃
3-nitrobenzyl alcohol

    Assign.     Shift(ppm)

      A             2.55
      B             4.797
      C             7.519
      D             7.668
      E             8.10
      F             8.19

     Hz     ppm     Int.

    735.31   8.211    194
    734.56   8.202    265
    733.88   8.195    251
    732.94   8.184    240
    732.25   8.177    202
    731.63   8.170    148
    730.94   8.162    151
    729.38   8.145    149
    721.75   8.059    179
    721.19   8.053    160
    686.06   7.661    174
    685.25   7.652    199
    684.44   7.643    291
    683.88   7.637    194
    683.00   7.627    144
    679.19   7.584    278
    678.56   7.577    271
    671.44   7.498    277
    671.00   7.493    265
    429.81   4.800   1000
    429.25   4.793    988
    227.69   2.543    576

in CDCl3