COUMARIN 7(27425-55-4) MS
Product NameCOUMARIN 7
CAS27425-55-4
Molecular FormulaC20H19N3O2
Molecular Weight333.38
InChIInChI=1S/C20H19N3O2/c1-3-23(4-2)14-10-9-13-11-15(20(24)25-18(13)12-14)19-21-16-7-5-6-8-17(16)22-19/h5-12H,3-4H2,1-2H3,(H,21,22)
InChIKey GOLORTLGFDVFDW-UHFFFAOYSA-N
SmilesC1(=O)OC2=CC(N(CC)CC)=CC=C2C=C1C1NC2=CC=CC=C2N=1
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MassMS2002-01278WA 3-(2-benzimidazolyl)-7-(diethylamino)coumarin C20H19N3O2 (Mass of molecular ion: 333)
Source Temperature: 250 °C Sample Temperature: 30 °C Direct, 70 eV
29.0 1.5 77.0 1.6 102.0 1.5 102.5 1.4 103.0 1.1 131.0 2.6 145.0 3.7 159.0 9.7 159.5 2.1 166.5 4.6 167.0 1.6 205.0 5.8 206.0 2.7 232.0 1.7 233.0 4.1 234.0 1.9 260.0 2.6 261.0 12.0 262.0 4.7 288.0 1.0 289.0 32.3 290.0 13.3 291.0 2.1 303.0 2.7 304.0 1.6 318.0 91.6 319.0 19.6 320.0 2.4 332.0 3.9 333.0 100.0 334.0 22.3 335.0 2.9
KBr disk
Nujol
