6-AMINOCHRYSENE(2642-98-0) 1H NMR
Product Name6-AMINOCHRYSENE
CAS2642-98-0
Molecular FormulaC18H13N
Molecular Weight243.3
InChIInChI=1S/C18H13N/c19-18-11-17-13-6-2-1-5-12(13)9-10-15(17)14-7-3-4-8-16(14)18/h1-11H,19H2
InChIKey KIVUHCNVDWYUNP-UHFFFAOYSA-N
SmilesC1=C2C(C3C(C=C2)=C2C(C=CC=C2)=C(N)C=3)=CC=C1
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MassMS-NW-6129 6-chrysenamine C18H13N (Mass of molecular ion: 243)
Source Temperature: 160 °C Sample Temperature: 120 °C Direct, 75 eV
18.0 2.2 63.0 1.1 93.5 1.6 94.0 1.4 94.5 2.9 105.5 1.0 106.0 1.3 106.5 3.6 107.0 2.7 107.5 5.0 108.0 2.6 108.5 1.1 120.5 2.5 121.5 6.1 122.0 1.6 187.0 1.3 189.0 1.9 213.0 5.8 214.0 2.5 215.0 20.5 216.0 5.3 224.0 1.1 225.0 1.0 226.0 1.4 227.0 1.4 240.0 3.3 241.0 5.1 242.0 6.5 243.0 100.0 244.0 20.9 245.0 2.0
in CDCl3
KBr disc
