Diazapam(439-14-5) IR2
Molecular FormulaC16H13ClN2O
Molecular Weight284.74
InChIInChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3
InChIKey AAOVKJBEBIDNHE-UHFFFAOYSA-N
SmilesN1(C)C2=CC=C(Cl)C=C2C(C2=CC=CC=C2)=NCC1=O
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MassMS-IW-4278 7-chloro-1-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one C16H13ClN2O (Mass of molecular ion: 284)
Source Temperature: 190 °C Sample Temperature: 140 °C Direct, 75 eV
27.0 1.3 28.0 2.0 39.0 1.2 42.0 1.0 50.0 1.0 51.0 2.9 56.0 1.8 57.0 5.0 63.0 2.7 65.0 1.6 74.0 1.0 75.0 3.3 76.0 3.0 77.0 5.9 81.0 1.6 81.5 3.1 82.0 4.0 82.5 2.6 83.5 1.8 87.0 1.0 88.0 1.0 88.5 1.0 89.0 6.5 90.0 1.8 91.0 3.5 95.5 5.9 96.0 2.3 96.5 3.5 97.0 1.1 99.0 1.1 102.0 2.6 102.5 1.3 103.0 2.1 109.0 2.0 109.5 2.4 110.0 9.1 110.5 4.7 111.0 2.5 113.0 1.3 113.5 2.5 114.0 2.0 114.5 1.0 115.0 1.4 116.0 2.1 117.0 5.0 124.0 2.9 124.5 1.7 125.0 3.8 126.0 1.7 127.0 4.1 128.0 2.6 138.0 1.4 139.0 1.2 142.0 1.1 150.0 2.5 151.0 3.8 152.0 4.0 163.0 4.9 164.0 4.3 165.0 11.6 166.0 2.5 177.0 5.3 178.0 3.0 179.0 2.3 190.0 2.8 191.0 4.3 192.0 8.7 193.0 6.5 194.0 1.1 199.0 1.6 203.0 1.0 204.0 1.2 205.0 3.9 206.0 1.8 213.0 1.5 215.0 1.0 219.0 2.6 220.0 1.6 221.0 30.5 222.0 6.3 226.0 2.6 227.0 29.1 228.0 8.9 229.0 10.2 230.0 2.9 238.0 2.7 239.0 4.1 240.0 2.6 241.0 6.5 242.0 1.8 243.0 1.8 248.0 5.3 249.0 7.1 250.0 1.2 255.0 23.6 256.0 100.0 257.0 35.8 258.0 35.4 259.0 9.4 260.0 1.1 266.0 1.5 268.0 3.5 270.0 1.1 282.0 1.5 283.0 88.5 284.0 96.5 285.0 44.5 286.0 32.5 287.0 5.3
KBr disc
nujol mull
