PROPIONANILIDE(620-71-3) MS
Product NamePROPIONANILIDE
CAS620-71-3
Molecular FormulaC9H11NO
Molecular Weight149.19
InChIInChI=1S/C9H11NO/c1-2-9(11)10-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,10,11)
InChIKey ZTHRQJQJODGZHV-UHFFFAOYSA-N
SmilesC(NC1=CC=CC=C1)(=O)CC
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MassMS-NW-6512 propionanilide C9H11NO (Mass of molecular ion: 149)
Source Temperature: 240 °C Sample Temperature: 190 °C Reservoir, 75 eV
27.0 3.5 29.0 15.8 38.0 1.2 39.0 4.1 50.0 1.0 51.0 3.0 52.0 1.0 57.0 11.7 63.0 1.5 64.0 1.4 65.0 5.9 66.0 5.0 77.0 5.3 91.0 1.0 92.0 2.9 93.0 100.0 94.0 7.6 120.0 1.3 149.0 21.6 150.0 2.4
90 MHz in CDCl3
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1H NMR 89.56 MHz C9 H11 N O 0.043 g : 0.5 ml CDCl3 propionanilide 
Assign. Shift(ppm)
A 7.9 B 7.50 C 7.27 D 7.06 E 2.35 F 1.21
Hz ppm Int.678.38 7.575 118 676.75 7.557 178 674.75 7.535 71 668.69 7.467 324 666.13 7.438 70 659.69 7.366 123 658.19 7.350 185 656.00 7.325 80 654.13 7.304 62 651.31 7.273 410 649.31 7.251 199 645.38 7.207 94 643.63 7.187 227 640.25 7.149 126 638.56 7.130 185 636.94 7.112 109 634.50 7.085 63 631.69 7.054 169 223.25 2.493 95 222.56 2.486 103 215.13 2.403 423 207.56 2.318 481 200.44 2.239 158 200.00 2.234 155 115.13 1.286 517 107.94 1.206 1000 100.13 1.119 370
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
