4-(3-HYDROXYPHENOXY)BENZOIC ACID(56183-35-8) IR2
Product Name4-(3-HYDROXYPHENOXY)BENZOIC ACID
CAS56183-35-8
Molecular FormulaC13H10O4
Molecular Weight230.22
InChIInChI=1S/C13H10O4/c14-10-2-1-3-12(8-10)17-11-6-4-9(5-7-11)13(15)16/h1-8,14H,(H,15,16)
InChIKey DEDKCEDXZJIDKZ-UHFFFAOYSA-N
SmilesC(O)(=O)C1=CC=C(OC2=CC=CC(O)=C2)C=C1
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MassMS-NW-7033 p-(m-hydroxyphenoxy)benzoic acid C13H10O4 (Mass of molecular ion: 230)
Source Temperature: 210 °C Sample Temperature: 160 °C Direct, 75 eV
18.0 2.1 27.0 2.0 38.0 2.6 39.0 11.6 40.0 1.1 41.0 1.1 45.0 1.5 50.0 3.8 51.0 4.6 52.0 1.8 53.0 3.0 55.0 1.5 62.0 1.7 63.0 7.0 64.0 7.4 65.0 15.6 66.0 1.6 69.0 2.4 74.0 1.6 75.0 2.5 76.0 2.0 77.0 2.1 78.0 1.7 78.5 1.4 79.0 1.0 80.0 1.0 81.0 1.9 92.0 5.5 93.0 4.4 103.0 1.1 105.0 1.1 106.0 1.0 106.5 3.4 110.0 2.1 115.0 3.6 116.0 1.8 117.0 3.2 121.0 2.5 122.0 1.1 127.0 4.6 128.0 9.6 129.0 13.0 130.0 2.6 131.0 1.6 139.0 1.9 155.0 1.8 156.0 3.4 157.0 13.4 158.0 2.7 161.0 1.0 162.0 2.0 167.0 1.5 184.0 4.8 185.0 7.4 186.0 2.4 201.0 1.2 202.0 2.8 211.0 1.0 212.0 1.0 213.0 13.8 214.0 2.3 229.0 1.1 230.0 100.0 231.0 14.8 232.0 2.0 244.0 2.0
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C13 H10 O4 0.038 g : 0.5 ml DMSO-d6 p-(m-hydroxyphenoxy)benzoic acid 
Assign. Shift(ppm)
A 13. B 9.9 C 7.975 D 7.236 E 7.058 F 6.663 G 6.539 J 6.499
Hz ppm Int.3901.08 9.762 39 3194.61 7.994 156 3192.04 7.988 963 3190.03 7.983 318 3185.08 7.970 372 3183.07 7.965 1000 3180.32 7.958 126 2900.62 7.258 315 2892.38 7.238 648 2884.32 7.218 366 2828.09 7.077 157 2825.53 7.071 989 2823.51 7.065 323 2818.57 7.053 352 2816.55 7.048 944 2813.80 7.041 122 2666.90 6.674 257 2666.17 6.672 281 2664.71 6.668 279 2663.97 6.666 267 2658.84 6.653 245 2658.11 6.652 251 2656.65 6.648 264 2655.73 6.646 241 2618.91 6.554 242 2618.18 6.552 257 2616.72 6.548 295 2615.98 6.546 279 2610.86 6.533 221 2610.12 6.532 227 2608.66 6.528 309 2607.92 6.526 274 2599.68 6.505 467 2597.48 6.500 696 2595.10 6.494 320
DMSO-d6
KBr disc
nujol mull
