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4-tert-butylphenyl 2-(7-methyl-6H-indolo[2,3-b]quinoxalin-6-yl)ethyl ether
SpectraBase Compound ID FJpxfcZY1v
InChI InChI=1S/C27H27N3O/c1-18-8-7-9-21-24-26(29-23-11-6-5-10-22(23)28-24)30(25(18)21)16-17-31-20-14-12-19(13-15-20)27(2,3)4/h5-15H,16-17H2,1-4H3
InChIKey TUXBSYDWOBKYIS-UHFFFAOYSA-N
Mol Weight 409.53 g/mol
Molecular Formula C27H27N3O
Exact Mass 409.215413 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JXYJNlrTWJX
Name 4-Tert-butylphenyl 2-(7-methyl-6H-indolo[2,3-B]quinoxalin-6-yl)ethyl ether
Comments Computed using HOSE algorithm
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Exact Mass 409.215412500 u
Formula C27H27N3O
InChI InChI=1S/C27H27N3O/c1-18-8-7-9-21-24-26(29-23-11-6-5-10-22(23)28-24)30(25(18)21)16-17-31-20-14-12-19(13-15-20)27(2,3)4/h5-15H,16-17H2,1-4H3
InChIKey TUXBSYDWOBKYIS-UHFFFAOYSA-N
Molecular Weight 409.533 g/mol
SMILES C=12N(C3=C(C=CC=C3C2=NC2=C(N1)C=CC=C2)C)CCOC=1C=CC(C(C)(C)C)=CC1