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返回ChemicalBook首页>CAS数据库列表>3153-44-4更多图谱> 3-(4-甲氧基苯甲酰基)丙酸(3153-44-4)Raman光谱

3153-44-4

3-(4-甲氧基苯甲酰基)丙酸(3153-44-4)Raman光谱

分子式:C11H12O4

分子量: 208.21

InChI:InChI=1S/C11H12O4/c1-15-9-4-2-8(3-5-9)10(12)6-7-11(13)14/h2-5H,6-7H2,1H3,(H,13,14)

InChIKey: OMTDIBZSUZNVJK-UHFFFAOYSA-N

Smiles:C1(C=CC(OC)=CC=1)C(=O)CCC(=O)O

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    Mass

    MS-IW-0079          
    3-(p-methoxybenzoyl)propionic acid
    C11H12O4            (Mass of molecular ion:    208)
    

       Source Temperature: 230 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          63.0       1.5
          64.0       2.4
          77.0       8.0
          92.0       5.3
         107.0       8.0
         135.0     100.0
         136.0       8.9
         190.0       1.3
         191.0       1.4
         208.0      16.4
         209.0       2.1
    

90 MHz in DMSO-d6

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    1H NMR 89.56 MHz
    C11 H12 O4 0.041 g : 0.5 ml DMSO-d6
    3-(p-methoxybenzoyl)propionic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 12.1 B 7.967 C 7.048 D 3.845 E 3.192 F 2.561

         Hz     ppm     Int.
    

       1085.74  12.124     53
        721.09   8.052     38
        718.26   8.020    205
        716.21   7.997     78
        714.36   7.977     36
        713.96   7.972     37
        711.43   7.944     96
        709.28   7.920    247
        706.54   7.890     43
        638.28   7.127     42
        635.45   7.096    249
        633.50   7.074     88
        631.15   7.048     35
        630.76   7.043     35
        628.52   7.018     82
        626.56   6.996    203
        623.83   6.966     37
        349.61   3.904     31
        344.43   3.846   1000
        293.07   3.273     75
        292.77   3.269     75
        287.01   3.205    159
        280.37   3.131    125
        236.04   2.636    114
        229.49   2.563    173
        223.14   2.492    159
    

in DMSO-d6

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KBr disc

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nujol mull

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