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9-methyl-2-methylthio-6-methoxy-4-trifluoromethyl-9H-pyrimido[4,5-b]indole
SpectraBase Compound ID 4xatAlwus0f
InChI InChI=1S/C14H12F3N3OS/c1-20-9-5-4-7(21-2)6-8(9)10-11(14(15,16)17)18-13(22-3)19-12(10)20/h4-6H,1-3H3
InChIKey MRJCPOJABIBDCN-UHFFFAOYSA-N
Mol Weight 327.33 g/mol
Molecular Formula C14H12F3N3OS
Exact Mass 327.065318 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BQ1HdRCZXkE
Name 9-methyl-2-methylthio-6-methoxy-4-trifluoromethyl-9H-pyrimido[4,5-b]indole
Appearance Light yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H12F3N3OS
InChI InChI=1S/C14H12F3N3OS/c1-20-9-5-4-7(21-2)6-8(9)10-11(14(15,16)17)18-13(22-3)19-12(10)20/h4-6H,1-3H3
InChIKey MRJCPOJABIBDCN-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 327.325 g/mol
SMILES c12[n](c3ccc(cc3c2c(nc(n1)SC)C(F)(F)F)OC)C
SPLASH splash10-004i-0059000000-c91d429c7dd4a68a6b42
Source of Spectrum RU2625316C1
Wiley ID 1855347