1-PHENYL-2-BUTANONE(1007-32-5) MS
Product Name1-PHENYL-2-BUTANONE
CAS1007-32-5
Molecular FormulaC10H12O
Molecular Weight148.2
InChIInChI=1S/C10H12O/c1-2-10(11)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKey GKDLTXYXODKDEA-UHFFFAOYSA-N
SmilesC(C1=CC=CC=C1)C(=O)CC
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MassMS-NW-5674 1-phenyl-2-butanone C10H12O (Mass of molecular ion: 148)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
27.0 3.5 29.0 33.3 39.0 5.5 41.0 1.6 45.5 1.0 50.0 1.2 51.0 3.0 57.0 100.0 58.0 3.5 62.0 1.0 63.0 3.0 64.0 1.0 65.0 10.2 77.0 1.0 89.0 2.5 90.0 1.6 91.0 37.2 92.0 8.6 148.0 11.7 149.0 1.6
90 MHz in CDCl3
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1H NMR 89.56 MHz C10 H12 O 0.04 ml : 0.5 ml CDCl3 1-phenyl-2-butanone 
Assign. Shift(ppm)
A 7.48 to 7.06 B 3.669 C 2.451 D 1.020
Hz ppm Int.659.25 7.361 53 658.56 7.354 45 657.13 7.338 51 655.44 7.319 65 654.44 7.308 117 654.13 7.304 117 652.63 7.288 222 651.06 7.270 436 650.63 7.265 525 649.88 7.257 420 647.94 7.235 513 646.19 7.216 141 643.56 7.186 95 643.06 7.181 84 641.19 7.160 37 640.81 7.156 36 639.44 7.140 51 639.13 7.137 50 638.63 7.131 44 328.63 3.670 735 231.25 2.583 76 223.75 2.499 284 216.44 2.417 317 209.56 2.340 112 98.19 1.097 440 91.13 1.018 1000 88.75 0.991 30 83.69 0.935 338
in CDCl3
liquid film
4880 A,200 M,liquid
