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5,8-Bis(4-hexyl-phenyl)-indolizino[6,5,4,3-ija][1,6]naphthyridine
SpectraBase Compound ID 9IQVllcY84y
InChI InChI=1S/C37H40N2/c1-3-5-7-9-11-27-13-17-29(18-14-27)33-23-31-25-38-26-32-24-34(36-22-21-35(33)39(36)37(31)32)30-19-15-28(16-20-30)12-10-8-6-4-2/h13-26H,3-12H2,1-2H3
InChIKey XDDGKSJIFMGWGU-UHFFFAOYSA-N
Mol Weight 512.7 g/mol
Molecular Formula C37H40N2
Exact Mass 512.319149 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2LdV2tIV2e
Name 5,8-Bis(4-hexyl-phenyl)-indolizino[6,5,4,3-ija][1,6]naphthyridine
Appearance Brown solid
Carrier Gas Helium
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Formula C37H40N2
InChI InChI=1S/C37H40N2/c1-3-5-7-9-11-27-13-17-29(18-14-27)33-23-31-25-38-26-32-24-34(36-22-21-35(33)39(36)37(31)32)30-19-15-28(16-20-30)12-10-8-6-4-2/h13-26H,3-12H2,1-2H3
InChIKey XDDGKSJIFMGWGU-UHFFFAOYSA-N
Instrument Name Agilent HP 5890-5973
Ionization Type EI
Literature Reference DOI 10.1002/anie.201701347
Molecular Weight 512.741 g/mol
Reported Formula C37H40N2
SMILES C=12C=C(C=3N4C1C(=CN=C2)C=C(C4=CC3)C1=CC=C(C=C1)CCCCCC)C1=CC=C(C=C1)CCCCCC
SPLASH splash10-03di-0000290000-8093fd8f37154252f523
Source of Spectrum ACI-56-SM8-4f (DOI: 10.1002/anie.201701347)
Wiley ID 1895760