4-Phenoxybutanoic acid(6303-58-8) 13C NMR
Product Name4-Phenoxybutanoic acid
CAS6303-58-8
Molecular FormulaC10H12O3
Molecular Weight180.2
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MassMS-IW-6581 4-phenoxybutyric acid C10H12O3 (Mass of molecular ion: 180)
Source Temperature: 140 °C Sample Temperature: 110 °C Direct, 75 eV
27.0 1.3 39.0 3.0 41.0 3.1 43.0 6.0 45.0 4.7 51.0 2.6 65.0 2.8 66.0 3.5 69.0 1.5 77.0 5.5 87.0 9.9 94.0 100.0 95.0 7.1 180.0 15.0 181.0 1.7
400 MHz in CDCl3
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1H NMR 399.65 MHz C10 H12 O3 0.040 g : 0.5 ml CDCl3 4-phenoxybutyric acid 
Assign. Shift(ppm)
A 11. B 7.266 C 6.937 D 6.882 E 4.004 F 2.582 G 2.110
Hz ppm Int.2915.64 7.296 62 2913.26 7.290 424 2911.07 7.285 154 2908.32 7.278 91 2905.75 7.271 571 2904.47 7.268 574 2902.09 7.262 91 2899.16 7.255 187 2897.88 7.252 226 2897.14 7.250 538 2894.76 7.244 68 2780.65 6.958 129 2779.55 6.955 241 2778.45 6.953 152 2772.96 6.939 195 2772.22 6.937 419 2771.31 6.935 228 2765.81 6.921 112 2764.90 6.919 193 2763.80 6.916 119 2757.21 6.900 103 2756.47 6.898 123 2755.19 6.895 548 2754.09 6.892 645 2751.89 6.886 178 2748.41 6.878 194 2747.31 6.875 311 2746.40 6.873 575 2745.30 6.870 488 2742.74 6.863 66 1606.55 4.020 503 1600.51 4.005 1000 1594.46 3.990 525 1039.65 2.602 455 1032.33 2.584 956 1028.66 2.574 52 1025.18 2.566 523 856.49 2.144 135 850.44 2.128 314 849.16 2.125 293 843.12 2.110 528 837.07 2.095 281 835.97 2.092 247 829.74 2.077 112
in CDCl3
KBr disc
nujol mull
