4-(4-HYDROXYPHENOXY)BENZOIC ACID(500-76-5) IR1
Product Name4-(4-HYDROXYPHENOXY)BENZOIC ACID
CAS500-76-5
Molecular FormulaC13H10O4
Molecular Weight230.22
InChIInChI=1S/C13H10O4/c14-10-3-7-12(8-4-10)17-11-5-1-9(2-6-11)13(15)16/h1-8,14H,(H,15,16)
InChIKey KLXPCYHWTLAVLN-UHFFFAOYSA-N
SmilesC(O)(=O)C1=CC=C(OC2=CC=C(O)C=C2)C=C1
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MassMS-NW-7029 p-(p-hydroxyphenoxy)benzoic acid C13H10O4 (Mass of molecular ion: 230)
Source Temperature: 180 °C Sample Temperature: 150 °C Direct, 75 eV
18.0 2.0 27.0 2.5 38.0 1.3 39.0 7.1 50.0 3.5 51.0 3.2 52.0 1.1 53.0 3.0 55.0 1.2 62.0 1.0 63.0 3.4 64.0 2.0 65.0 9.9 74.0 1.3 75.0 2.1 76.0 3.2 77.0 2.1 78.0 1.0 81.0 6.1 82.0 1.0 92.0 1.0 93.0 1.6 104.0 2.3 105.0 3.1 106.5 1.4 109.0 13.0 110.0 3.7 115.0 1.1 121.0 1.7 122.0 2.2 127.0 2.0 128.0 4.4 129.0 3.9 131.0 1.4 155.0 1.0 156.0 1.6 157.0 7.2 158.0 1.6 184.0 4.0 185.0 3.6 213.0 12.8 214.0 2.0 229.0 1.3 230.0 100.0 231.0 14.7 232.0 1.9
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C13 H10 O4 0.035 g : 0.5 ml DMSO-d6 p-(p-hydroxyphenoxy)benzoic acid 
Assign. Shift(ppm)
A 12.8 B 9.51 C 7.927 D 6.976 E 6.944 F 6.849
Hz ppm Int.3803.09 9.517 48 3175.56 7.946 104 3172.81 7.939 801 3170.80 7.934 252 3168.60 7.929 53 3165.85 7.922 283 3164.02 7.917 827 3161.27 7.911 101 2796.95 6.999 65 2793.29 6.990 709 2791.09 6.984 235 2786.70 6.973 294 2784.50 6.968 1000 2779.73 6.956 868 2777.72 6.951 269 2772.77 6.938 279 2770.94 6.934 801 2768.01 6.927 106 2744.57 6.868 107 2740.90 6.859 965 2738.71 6.853 264 2734.31 6.842 246 2732.11 6.837 698 2728.45 6.828 67
in DMSO-d6
KBr disc
nujol mull
4880 A,200 M,powder
