1HNMR)的核磁圖,紅外圖譜,Raman光譜,質(zhì)譜等圖譜" /> 1HNMR)" />

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30766-22-4

5-羥基煙酸甲酯(30766-22-4)核磁圖(1HNMR)

產(chǎn)品名稱(chēng):5-羥基煙酸甲酯

CAS:30766-22-4

分子式:C7H7NO3

分子量: 153.14

InChI:InChI=1S/C7H7NO3/c1-11-7(10)5-2-6(9)4-8-3-5/h2-4,9H,1H3

InChIKey: KJJSHOHQQHACLE-UHFFFAOYSA-N

Smiles:C1=NC=C(O)C=C1C(OC)=O

  • 圖譜
    Mass 

    MS-IW-7453          
methyl 5-hydroxynicotinate
C7H7NO3             (Mass of molecular ion:    153)


       Source Temperature: 160 °C
   Sample Temperature: 130 °C
   Direct, 75 eV


          15.0       1.5
      28.0       1.7
      37.0       1.7
      38.0       5.4
      39.0       9.8
      44.0       1.9
      51.0       1.4
      53.0       2.5
      59.0       1.6
      65.0       1.4
      66.0       4.8
      67.0       2.2
      76.0       1.7
      93.0       2.8
      94.0      58.3
      95.0       4.8
     121.0       5.0
     122.0      82.4
     123.0       6.9
     124.0       1.0
     136.0       1.5
     152.0       3.7
     153.0     100.0
     154.0       9.4

400 MHz in DMSO-d6

  • 圖譜

    1H NMR 399.65 MHz
    C7 H7 N O3 0.041 g : 0.5 ml DMSO-d6
    methyl 5-hydroxynicotinate
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A            10.4
      B             8.582
      C             8.386
      D             7.626
      E             3.888
  

         Hz     ppm     Int.


       4170.84  10.437     65
   3429.41   8.582     94
   3352.81   8.390     75
   3350.37   8.384     75
   3050.23   7.633    122
   3048.55   7.629    136
   3047.49   7.626    149
   3045.65   7.621    127
   1553.96   3.889   1000

in DMSO-d6

  • 圖譜

KBr disc

  • 圖譜

nujol mull

  • 圖譜

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