Solvent Violet 13(81-48-1) MS
Product NameSolvent Violet 13
CAS81-48-1
Molecular FormulaC21H15NO3
Molecular Weight329.35
InChIInChI=1S/C21H15NO3/c1-12-6-8-13(9-7-12)22-16-10-11-17(23)19-18(16)20(24)14-4-2-3-5-15(14)21(19)25/h2-11,22-23H,1H3
InChIKey LJFWQNJLLOFIJK-UHFFFAOYSA-N
SmilesC1(O)=C2C(C(=O)C3=C(C2=O)C=CC=C3)=C(NC2=CC=C(C)C=C2)C=C1
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MassMS-NW-9283 1-hydroxy-4-(p-toluidino)anthraquinone C21H15NO3 (Mass of molecular ion: 329)
Source Temperature: 200 °C Sample Temperature: 160 °C Direct, 75 eV
65.0 1.0 77.0 1.9 79.0 2.0 80.0 2.3 91.0 1.8 105.0 1.2 106.0 3.3 115.0 1.0 127.0 1.2 139.0 1.9 250.0 1.3 284.0 1.5 285.0 1.2 286.0 1.2 300.0 1.9 312.0 6.3 313.0 2.8 314.0 2.7 328.0 10.7 329.0 100.0 330.0 23.2 331.0 3.3
in CDCl3
KBr disc
nujol mull
