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621-59-0

異香蘭素(621-59-0)紅外圖譜(IR2)

產(chǎn)品名稱:異香蘭素

CAS:621-59-0

分子式:C8H8O3

分子量: 152.15

InChI:InChI=1S/C8H8O3/c1-11-8-3-2-6(5-9)4-7(8)10/h2-5,10H,1H3

InChIKey: JVTZFYYHCGSXJV-UHFFFAOYSA-N

Smiles:C(=O)C1=CC=C(OC)C(O)=C1

  • 圖譜
    Mass

    MS-NW-4902          
    3-hydroxy-4-methoxybenzaldehyde
    C8H8O3              (Mass of molecular ion:    152)
    

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

          15.0       2.9
          18.0       1.3
          26.0       1.7
          27.0       8.3
          28.0       4.2
          29.0       5.2
          31.0       1.8
          37.0       1.7
          38.0       3.1
          39.0       7.5
          41.0       3.6
          49.0       1.1
          50.0       5.6
          51.0      11.2
          52.0      11.5
          53.0       9.1
          54.0       1.0
          55.0       4.4
          61.0       1.5
          62.0       2.8
          63.0       5.4
          64.0       1.3
          65.0       8.5
          66.0       1.0
          67.0       3.4
          77.0       5.1
          79.0       5.3
          80.0       4.8
          81.0      26.7
          82.0       1.6
          91.0       1.2
          93.0       2.5
          95.0       2.5
         108.0       8.0
         109.0      19.0
         110.0       1.4
         119.0       1.4
         123.0      14.7
         124.0       2.1
         136.0       2.0
         137.0       5.8
         151.0      93.8
         152.0     100.0
         153.0       9.1
         154.0       1.0
    

90 MHz in CDCl3

  • 圖譜

    1H NMR 89.56 MHz
    C8 H8 O3 0.047 g : 0.5 ml CDCl3
    3-hydroxy-4-methoxybenzaldehyde
    ChemicalStructure
        Assign.     Shift(ppm)
    A 9.827 B 7.440 C 7.417 D 6.968 E 6.12 F 3.968 J(B,C)=1.9HZ. J(C,D)=8.8HZ.

         Hz     ppm     Int.
    

        880.22   9.829    255
        670.61   7.488     35
        668.63   7.466    145
        667.24   7.451    215
        665.48   7.431    194
        661.82   7.390    165
        659.84   7.368     87
        627.83   7.011    132
        619.12   6.913     90
        547.85   6.118     75
        355.44   3.969   1000
    

in CDCl3

  • 圖譜

KBr disc

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nujol mull

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