BENZAL-P-TOLUIDINE(2272-45-9) MS
Product NameBENZAL-P-TOLUIDINE
CAS2272-45-9
Molecular FormulaC14H13N
Molecular Weight195.26
InChIInChI=1S/C14H13N/c1-12-7-9-14(10-8-12)15-11-13-5-3-2-4-6-13/h2-11H,1H3
InChIKey MSFVFFZPHJPOHP-UHFFFAOYSA-N
SmilesC1(N=CC2=CC=CC=C2)=CC=C(C)C=C1
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MassMS-NW-6241 N-benzylidene-p-toluidine C14H13N (Mass of molecular ion: 195)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
27.0 1.3 38.0 1.0 39.0 7.4 41.0 2.3 50.0 2.2 51.0 5.7 52.0 1.6 62.0 1.3 63.0 5.4 64.0 2.1 65.0 17.1 66.0 1.1 76.0 1.5 77.0 5.3 78.0 4.1 83.5 2.8 89.0 8.1 90.0 6.1 91.0 36.3 92.0 3.3 95.5 1.5 96.5 5.3 97.0 1.0 106.0 1.1 116.0 2.3 117.0 2.1 118.0 13.0 119.0 1.4 152.0 1.6 165.0 1.6 167.0 1.0 180.0 2.5 192.0 1.1 193.0 2.5 194.0 79.9 195.0 100.0 196.0 14.9 197.0 1.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C14 H13 N 0.039 g : 0.5 ml CDCl3 N-benzylidene-p-toluidine 
Assign. Shift(ppm)
A 8.446 B 7.882 C 7.45 D 7.181 E 7.138 F 2.355
Hz ppm Int.3375.37 8.446 441 3158.69 7.904 30 3157.23 7.900 35 3155.27 7.896 177 3152.83 7.889 186 3150.63 7.884 150 3149.29 7.881 215 3146.97 7.875 127 3145.63 7.871 185 2982.91 7.464 69 2979.25 7.455 441 2976.32 7.448 395 2974.85 7.444 212 2972.66 7.439 311 2970.21 7.433 86 2875.61 7.196 178 2867.43 7.175 385 2857.06 7.149 105 2855.22 7.145 495 2853.03 7.139 156 2848.88 7.129 88 2846.80 7.124 216 941.28 2.356 1000
in CDCl3
KBr disc
liquid film
nujol mull
