MEDAZEPAM(2898-12-6) MS
Molecular FormulaC16H15ClN2
Molecular Weight270.76
InChIInChI=1S/C16H15ClN2/c1-19-10-9-18-16(12-5-3-2-4-6-12)14-11-13(17)7-8-15(14)19/h2-8,11H,9-10H2,1H3
InChIKey YLCXGBZIZBEVPZ-UHFFFAOYSA-N
SmilesN1(C)C2=CC=C(Cl)C=C2C(C2=CC=CC=C2)=NCC1
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MassMS-IW-3284 7-chloro-1-methyl-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepine C16H15ClN2 (Mass of molecular ion: 270)
Source Temperature: 150 °C Sample Temperature: 110 °C Direct, 75 eV
42.0 1.7 51.0 2.2 63.0 1.9 75.0 2.2 76.0 1.7 77.0 3.7 81.5 1.3 82.0 1.5 82.5 1.2 88.0 1.2 89.0 3.6 90.0 1.2 91.0 2.5 95.5 2.3 102.0 2.4 102.5 2.2 103.0 2.0 103.5 2.7 104.0 2.0 109.0 1.5 109.5 1.1 111.0 1.3 116.0 1.8 116.5 2.2 117.0 3.2 117.5 1.0 125.0 1.0 127.0 1.0 128.0 1.0 130.0 1.6 134.0 2.3 135.0 1.7 139.0 1.0 151.0 1.4 152.0 1.1 163.0 3.5 164.0 4.2 165.0 11.4 166.0 3.4 177.0 1.5 178.0 1.8 179.0 1.5 190.0 2.2 191.0 2.3 192.0 4.0 193.0 1.3 199.0 1.4 201.0 1.2 204.0 1.9 205.0 2.0 206.0 9.4 207.0 75.3 208.0 12.6 209.0 1.0 227.0 6.0 228.0 1.5 229.0 2.1 240.0 1.4 241.0 2.6 242.0 100.0 243.0 17.6 244.0 33.0 245.0 5.4 253.0 1.0 269.0 13.2 270.0 33.1 271.0 10.1 272.0 10.9 273.0 1.9
400 MHz in CDCl3
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1H NMR 399.65 MHz C16 H15 Cl N2 0.039 g : 0.5 ml CDCl3 7-chloro-1-methyl-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepine 
Assign. Shift(ppm)
A 7.557 B 7.410 C 7.368 D 7.322 E 6.991 F 6.895 G 3.737 J 3.592 K 2.769
Hz ppm Int.3025.51 7.571 149 3024.05 7.567 211 3022.46 7.563 104 3019.53 7.556 64 3017.33 7.550 265 3015.75 7.546 201 2971.44 7.436 39 2964.11 7.417 124 2961.55 7.411 45 2958.62 7.404 89 2957.15 7.400 145 2955.44 7.396 72 2952.39 7.388 38 2950.93 7.384 158 2950.07 7.382 228 2948.73 7.379 94 2944.70 7.369 120 2944.21 7.367 103 2942.87 7.364 231 2942.14 7.362 180 2940.92 7.359 49 2937.62 7.351 42 2936.04 7.347 86 2934.20 7.342 58 2932.13 7.337 155 2929.57 7.331 155 2923.46 7.316 159 2920.78 7.309 170 2795.29 6.995 258 2792.72 6.988 248 2760.01 6.907 206 2751.22 6.885 189 1500.12 3.754 109 1494.75 3.741 158 1492.80 3.736 93 1488.65 3.725 167 1440.67 3.605 184 1437.38 3.597 71 1436.52 3.595 104 1434.57 3.590 165 1429.08 3.576 116 1106.57 2.769 1000
in CDCl3
KBr disc
nujol mull
