FENTIAZAC(18046-21-4) 1H NMR
Product NameFENTIAZAC
CAS18046-21-4
Molecular FormulaC17H12ClNO2S
Molecular Weight329.8
InChIInChI=1S/C17H12ClNO2S/c18-13-8-6-11(7-9-13)16-14(10-15(20)21)22-17(19-16)12-4-2-1-3-5-12/h1-9H,10H2,(H,20,21)
InChIKey JIEKMACRVQTPRC-UHFFFAOYSA-N
SmilesS1C(CC(O)=O)=C(C2=CC=C(Cl)C=C2)N=C1C1=CC=CC=C1
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MassMS-KW-0434 4-(p-chlorophenyl)-2-phenyl-5-thiazoleacetic acid C17H12ClNO2S (Mass of molecular ion: 329)
Source Temperature: 200 °C Sample Temperature: 170 °C Direct, 75 eV
17.0 2.5 18.0 14.4 28.0 2.5 36.0 1.0 39.0 3.2 44.0 7.9 45.0 9.5 50.0 2.1 51.0 5.8 62.0 2.4 63.0 5.8 69.0 10.2 70.0 1.7 71.0 1.3 73.0 1.9 74.0 1.5 75.0 6.0 76.0 3.0 77.0 8.9 86.0 1.5 87.0 3.4 88.0 1.9 89.0 2.7 91.0 1.0 93.0 1.9 97.0 1.3 99.0 1.5 101.0 14.0 102.0 18.3 103.0 4.7 104.0 2.6 105.0 1.5 110.0 1.0 110.5 1.3 111.0 4.6 111.5 1.2 113.0 4.3 114.0 2.9 115.0 1.4 119.0 1.0 120.0 1.8 121.0 11.6 122.0 1.4 123.0 4.6 123.5 2.5 124.0 5.1 124.5 7.2 125.0 3.8 126.0 1.0 132.0 1.8 134.0 1.2 135.0 2.1 136.0 3.6 137.0 30.2 138.0 4.7 139.0 16.6 140.0 2.8 141.0 3.1 141.5 11.6 142.0 2.8 142.5 4.8 143.0 1.2 144.0 1.1 145.0 10.8 146.0 60.0 147.0 9.5 148.0 3.9 149.0 4.7 151.0 1.5 155.0 6.8 155.5 2.7 156.0 1.4 156.5 1.0 157.0 2.8 163.0 10.0 164.0 1.3 164.5 2.7 165.0 1.8 165.5 1.0 167.0 1.3 172.0 1.0 179.0 3.0 180.0 3.2 181.0 80.6 182.0 13.0 183.0 30.1 184.0 6.8 185.0 1.7 186.0 1.2 246.0 1.1 247.0 1.1 248.0 7.1 249.0 56.1 250.0 11.1 251.0 3.9 252.0 1.4 276.0 5.9 277.0 1.5 282.0 1.2 284.0 91.3 285.0 23.1 286.0 35.0 287.0 8.6 288.0 2.4 310.0 1.0 311.0 19.6 312.0 4.7 313.0 7.6 314.0 1.8 329.0 100.0 330.0 20.5 331.0 38.0 332.0 7.4 333.0 2.3
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C17H12ClNO2S 0.039 g : 0.5 ml DMSO-d6 4-(p-chlorophenyl)-2-phenyl-5-thiazoleacetic acid 
Assign. Shift(ppm)
A 13.0 B 7.970 C 7.732 D 7.577 E 7.514 F 4.020
Hz ppm Int.5179.93 12.957 8 3191.53 7.984 314 3189.15 7.978 219 3187.31 7.973 145 3186.58 7.971 146 3185.67 7.969 152 3183.65 7.964 375 3182.00 7.960 309 3178.89 7.952 31 3175.41 7.943 13 3098.29 7.750 76 3095.73 7.744 516 3093.71 7.739 179 3089.13 7.728 208 3087.12 7.722 681 3084.55 7.716 85 3035.09 7.592 106 3032.71 7.586 697 3030.51 7.581 200 3025.93 7.569 186 3023.92 7.564 525 3021.35 7.558 65 3017.14 7.547 58 3015.31 7.543 50 3012.93 7.537 112 3011.46 7.533 100 3007.98 7.525 314 3004.69 7.516 210 3002.12 7.510 508 3000.66 7.506 549 2997.72 7.499 117 2995.71 7.494 66 2991.13 7.482 20 2989.30 7.478 20 1628.83 4.075 6 1606.85 4.020 1000 1595.49 3.991 8
in DMSO-d6
KBr disk
