Butoxybenzene(1126-79-0) Raman
Product NameButoxybenzene
CAS1126-79-0
Molecular FormulaC10H14O
Molecular Weight150.22
InChIInChI=1S/C10H14O/c1-2-3-9-11-10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
InChIKey YFNONBGXNFCTMM-UHFFFAOYSA-N
SmilesC1(OCCCC)=CC=CC=C1
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MassMS-NW-5388 butoxybenzene C10H14O (Mass of molecular ion: 150)
Source Temperature: 250 °C Sample Temperature: 190 °C Reservoir, 75 eV
27.0 4.1 29.0 11.2 39.0 7.1 40.0 1.4 41.0 8.3 50.0 1.2 51.0 4.4 55.0 1.5 56.0 1.1 57.0 3.9 63.0 1.1 65.0 5.3 66.0 5.5 77.0 7.4 94.0 100.0 95.0 7.0 107.0 1.6 150.0 18.4 151.0 2.1
90 MHz in CDCl3
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1H NMR 89.56 MHz C10 H14 O 0.04 ml : 0.5 ml CDCl3 butoxybenzene 
Assign. Shift(ppm)
A 7.24 B 6.91 C 6.87 D 3.938 E 1.76 F 1.47 G 0.97
Hz ppm Int.661.31 7.384 32 659.13 7.360 154 658.13 7.349 208 656.25 7.328 120 653.56 7.298 60 652.75 7.289 147 651.81 7.278 302 651.25 7.272 237 650.69 7.266 335 649.88 7.257 271 649.06 7.248 312 647.63 7.232 125 646.38 7.218 108 644.81 7.200 146 644.13 7.193 172 643.13 7.181 424 642.44 7.174 520 640.31 7.150 102 626.69 6.998 84 625.81 6.988 140 625.13 6.981 211 624.25 6.971 319 622.69 6.953 161 620.81 6.932 552 619.75 6.920 709 618.19 6.903 303 617.56 6.896 503 615.44 6.872 54 614.25 6.859 152 613.63 6.852 163 612.25 6.837 381 611.00 6.823 414 609.50 6.806 85 608.31 6.793 39 359.44 4.014 359 353.19 3.944 898 346.88 3.874 489 172.63 1.928 43 170.88 1.908 59 167.88 1.875 32 166.56 1.860 85 165.75 1.851 87 164.38 1.836 145 162.19 1.811 92 161.69 1.806 88 160.25 1.790 74 157.81 1.763 247 155.75 1.740 143 154.00 1.720 54 151.50 1.692 221 150.75 1.684 236 149.44 1.669 156 147.69 1.650 98 146.19 1.633 110 145.31 1.623 140 144.13 1.610 147 143.19 1.599 168 142.50 1.592 157 140.56 1.570 40 138.44 1.546 123 136.88 1.529 195 135.13 1.509 217 133.31 1.489 60 132.50 1.480 67 131.13 1.465 149 130.31 1.456 109 128.38 1.434 167 126.88 1.417 76 125.81 1.405 46 124.69 1.393 59 121.69 1.359 143 120.56 1.347 75 115.06 1.285 61 93.13 1.040 474 89.19 0.996 42 88.69 0.991 36 86.56 0.967 1000 85.38 0.954 357 80.13 0.895 175 79.06 0.883 210 77.44 0.865 129
in CDCl3
liquid film
4880 A,200 M,liquid
