1-PHENOXY-2-CHLOROPROPANE(53491-30-8) IR1
Product Name1-PHENOXY-2-CHLOROPROPANE
CAS53491-30-8
Molecular FormulaC9H11ClO
Molecular Weight170.64
InChIInChI=1S/C9H11ClO/c1-8(10)7-11-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
InChIKey LTRAIWUUCBYXHZ-UHFFFAOYSA-N
SmilesC1(OCC(Cl)C)=CC=CC=C1
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MassMS-NW-3324 (2-chloropropoxy)benzene C9H11ClO (Mass of molecular ion: 170)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
27.0 2.1 38.0 1.3 39.0 8.5 40.0 1.5 41.0 10.6 50.0 1.4 51.0 4.8 55.0 1.0 63.0 1.7 65.0 6.0 66.0 6.3 77.0 12.1 78.0 1.2 79.0 1.9 94.0 100.0 95.0 6.8 107.0 3.4 121.0 1.7 170.0 12.4 171.0 1.3 172.0 4.1
90 MHz in CDCl3
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1H NMR 89.56 MHz C9 H11 Cl O 0.04 ml : 0.5 ml CDCl3 (2-chloropropoxy)benzene 
Assign. Shift(ppm)
A 7.27 B 6.94 C 6.90 D 4.25 E *1 4.13 F *1 3.96 G 1.611
Hz ppm Int.661.44 7.386 95 660.31 7.373 116 659.63 7.366 63 658.38 7.352 75 656.00 7.325 35 654.44 7.308 133 652.75 7.289 328 651.75 7.278 197 649.56 7.253 78 647.19 7.227 172 646.81 7.223 189 645.44 7.207 365 644.63 7.198 261 643.00 7.180 54 642.44 7.174 74 631.50 7.052 76 630.00 7.035 151 628.94 7.023 185 624.69 6.976 117 622.81 6.955 573 620.81 6.932 423 618.69 6.909 68 616.94 6.889 84 615.69 6.875 212 614.00 6.856 300 613.38 6.849 211 612.75 6.842 220 393.13 4.390 60 387.81 4.331 93 386.75 4.319 82 386.44 4.315 83 381.13 4.256 151 378.38 4.225 77 377.19 4.212 123 375.63 4.195 167 373.69 4.173 41 372.44 4.159 55 368.75 4.118 315 365.63 4.083 66 363.44 4.059 395 362.25 4.045 180 356.19 3.978 215 353.44 3.947 132 346.69 3.872 42 149.81 1.673 42 147.50 1.647 991 145.13 1.621 98 142.81 1.595 72 141.06 1.576 1000 138.44 1.546 57
in CDCl3
liquid film
4880 A,200 M,liquid
