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3-(benzylsulfanyl)-5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indole

View entire compound with spectra: 2 NMR

3-(benzylsulfanyl)-5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indole
SpectraBase Compound ID 9rxcm6RVPUx
InChI InChI=1S/C24H20N4S/c1-3-9-18(10-4-1)15-16-28-21-14-8-7-13-20(21)22-23(28)25-24(27-26-22)29-17-19-11-5-2-6-12-19/h1-14H,15-17H2
InChIKey QKMYLHJUGJIBBH-UHFFFAOYSA-N
Mol Weight 396.51 g/mol
Molecular Formula C24H20N4S
Exact Mass 396.140868 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5nhQ45ps8dV
Name 3-(Benzylsulfanyl)-5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-B]indole
Comments Computed using HOSE algorithm
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Exact Mass 396.140867834 u
Formula C24H20N4S
InChI InChI=1S/C24H20N4S/c1-3-9-18(10-4-1)15-16-28-21-14-8-7-13-20(21)22-23(28)25-24(27-26-22)29-17-19-11-5-2-6-12-19/h1-14H,15-17H2
InChIKey QKMYLHJUGJIBBH-UHFFFAOYSA-N
Molecular Weight 396.512 g/mol
SMILES C12=C(C=3C=CC=CC3N2CCC2=CC=CC=C2)N=NC(=N1)SCC1=CC=CC=C1