3-Phenoxypropionic acid(7170-38-9) IR2
Product Name3-Phenoxypropionic acid
CAS7170-38-9
Molecular FormulaC9H10O3
Molecular Weight166.17
InChIInChI=1S/C9H10O3/c10-9(11)6-7-12-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)
InChIKey BUSOTUQRURCMCM-UHFFFAOYSA-N
SmilesC(O)(=O)CCOC1=CC=CC=C1
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MassMS-NW-6759 3-phenoxypropionic acid C9H10O3 (Mass of molecular ion: 166)
Source Temperature: 200 °C Sample Temperature: 190 °C Reservoir, 75 eV
27.0 3.6 28.0 1.3 29.0 1.9 38.0 1.6 39.0 7.4 40.0 1.8 43.0 1.6 45.0 4.1 50.0 1.9 51.0 5.2 55.0 5.5 63.0 2.4 64.0 1.2 65.0 9.8 66.0 8.8 73.0 3.8 77.0 9.7 78.0 2.1 79.0 1.4 91.0 1.1 93.0 1.6 94.0 100.0 95.0 7.5 107.0 3.5 121.0 1.7 166.0 34.0 167.0 3.6
90 MHz in CDCl3
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1H NMR 89.56 MHz C9 H10 O3 0.046 g : 0.5 ml CDCl3 3-phenoxypropionic acid 
Assign. Shift(ppm)
A 11.54 B 7.26 C 6.93 D 6.92 E 4.231 F 2.833
Hz ppm Int.1033.68 11.542 168 660.44 7.375 161 659.84 7.368 121 659.41 7.363 148 658.39 7.352 79 657.53 7.342 90 653.94 7.302 176 653.34 7.295 220 651.89 7.279 465 651.21 7.272 271 649.58 7.254 115 648.90 7.246 76 646.59 7.220 218 644.80 7.200 449 643.77 7.189 328 641.64 7.165 83 630.19 7.037 105 629.16 7.026 188 628.74 7.021 205 627.71 7.009 225 624.21 6.970 140 622.24 6.948 994 620.96 6.934 489 620.36 6.927 460 618.23 6.903 55 615.66 6.875 251 613.70 6.853 436 613.10 6.846 377 385.63 4.306 406 379.22 4.235 919 372.99 4.165 498 259.68 2.900 514 253.44 2.830 1000 247.12 2.760 412
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
