4-Formylphenoxyacetic acid(22042-71-3) 1H NMR
Product Name4-Formylphenoxyacetic acid
CAS22042-71-3
Molecular FormulaC9H8O4
Molecular Weight180.16
InChIInChI=1S/C9H8O4/c10-5-7-1-3-8(4-2-7)13-6-9(11)12/h1-5H,6H2,(H,11,12)
InChIKey OYNIIKHNXNPSAG-UHFFFAOYSA-N
SmilesC(O)(=O)COC1=CC=C(C=O)C=C1
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MassMS-IW-4924 (p-formylphenoxy)acetic acid C9H8O4 (Mass of molecular ion: 180)
Source Temperature: 160 °C Sample Temperature: 130 °C Direct, 75 eV
27.0 1.0 28.0 1.4 29.0 2.4 31.0 1.9 38.0 2.8 39.0 7.7 42.0 1.1 45.0 1.4 50.0 7.1 51.0 13.0 52.0 1.1 53.0 1.2 62.0 2.0 63.0 5.4 64.0 4.4 65.0 10.6 66.0 1.2 67.0 1.3 74.0 3.0 75.0 3.1 76.0 6.0 77.0 26.3 78.0 2.7 79.0 10.0 92.0 6.0 93.0 6.3 94.0 1.2 104.0 2.1 105.0 30.5 106.0 2.9 107.0 3.7 109.0 1.6 121.0 37.9 122.0 9.0 135.0 32.1 136.0 2.9 151.0 1.1 179.0 87.5 180.0 100.0 181.0 10.2 182.0 1.2
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C9 H8 O4 0.041 g : 0.5 ml DMSO-d6 (p-formylphenoxy)acetic acid 
Assign. Shift(ppm)
A 13.2 B 9.886 C 7.877 D 7.124 E 4.848
Hz ppm Int.3951.02 9.887 582 3155.26 7.896 65 3152.48 7.889 459 3150.56 7.884 147 3145.86 7.872 158 3143.72 7.867 473 3141.16 7.860 62 2854.39 7.143 61 2851.61 7.136 429 2849.69 7.131 143 2844.78 7.119 142 2842.85 7.114 422 2840.07 7.107 55 1937.69 4.849 1000
in DMSO-d6
KBr disc
nujol mull
