DeoxyBenzoinOxime(952-06-7) IR2
Product NameDeoxyBenzoinOxime
CAS952-06-7
Molecular FormulaC14H13NO
Molecular Weight211.26
InChIInChI=1S/C14H13NO/c16-15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10,16H,11H2
InChIKey PWCUVRROUAKTLL-UHFFFAOYSA-N
SmilesC(=NO)(C1=CC=CC=C1)CC1=CC=CC=C1
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MassMS-IW-8110 deoxybenzoin oxime C14H13NO (Mass of molecular ion: 211)
Source Temperature: 140 °C Sample Temperature: 100 °C Direct, 75 eV
17.0 1.1 18.0 6.0 39.0 5.0 41.0 1.4 50.0 2.6 51.0 8.2 52.0 1.7 62.0 1.0 63.0 4.4 64.0 1.6 65.0 17.8 66.0 1.4 75.0 1.5 76.0 5.6 77.0 39.7 78.0 3.5 79.0 1.0 82.0 1.2 82.5 1.4 83.0 1.5 83.5 1.4 89.0 10.1 90.0 12.9 91.0 84.8 92.0 24.6 93.0 9.1 94.0 1.2 95.5 1.3 96.5 1.9 102.0 1.3 103.0 15.5 104.0 6.6 105.0 1.4 105.5 1.1 107.0 1.3 109.0 2.0 115.0 1.0 116.0 6.0 117.0 1.7 118.0 1.1 119.0 3.2 120.0 15.0 121.0 1.3 132.0 1.3 151.0 1.0 152.0 3.1 165.0 17.8 166.0 6.7 167.0 7.4 168.0 1.5 169.0 1.6 176.0 1.5 177.0 2.2 178.0 5.6 179.0 2.4 180.0 1.1 182.0 1.2 191.0 1.4 192.0 15.3 193.0 100.0 194.0 41.9 195.0 9.0 196.0 1.3 210.0 8.0 211.0 86.1 212.0 14.6 213.0 1.3
400 MHz in CDCl3
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1H NMR 399.65 MHz C14 H13 N O 0.038 g : 0.5 ml CDCl3 deoxybenzoin oxime 
Assign. Shift(ppm)
A 9.62 B 7.606 C 7.32 D 7.25 E 7.18 F 4.221
Hz ppm Int.3847.05 9.627 70 3044.89 7.619 240 3042.60 7.614 253 3039.86 7.607 173 3038.79 7.604 262 3035.13 7.595 269 2926.94 7.324 666 2924.35 7.318 491 2922.06 7.312 247 2921.14 7.310 344 2920.07 7.307 351 2902.22 7.262 1000 2899.32 7.255 440 2897.03 7.249 420 2896.42 7.248 480 2875.82 7.196 106 2874.45 7.193 100 2871.86 7.186 99 2871.40 7.185 100 2869.11 7.180 123 2867.89 7.177 106 2865.75 7.171 107 1687.01 4.222 800
KBr disc
nujol mull
