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3,6-Bis(4-t-butylbenzoylamino)dipyrido[3,2-a:2',3'-c]phenazine
SpectraBase Compound ID 7msnCj95Plt
InChI InChI=1S/C40H36N6O2/c1-39(2,3)25-15-11-23(12-16-25)37(47)45-31-21-19-27-33-34(42-30-10-8-7-9-29(30)41-33)28-20-22-32(44-36(28)35(27)43-31)46-38(48)24-13-17-26(18-14-24)40(4,5)6/h7-22H,1-6H3,(H,43,45,47)(H,44,46,48)
InChIKey IMPGJIZIMAQNGZ-UHFFFAOYSA-N
Mol Weight 632.8 g/mol
Molecular Formula C40H36N6O2
Exact Mass 632.289974 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1mOVdGRqBZd
Name 3,6-Bis(4-t-butylbenzoylamino)dipyrido[3,2-a:2',3'-c]phenazine
Alternate Name(s) 4-tert-butyl-N-{6-[(4-tert-butylbenzoyl)amino]dipyrido[3,2-a:2,3-c]phenazin-3-yl}benzamide
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H36N6O2
InChI InChI=1S/C40H36N6O2/c1-39(2,3)25-15-11-23(12-16-25)37(47)45-31-21-19-27-33-34(42-30-10-8-7-9-29(30)41-33)28-20-22-32(44-36(28)35(27)43-31)46-38(48)24-13-17-26(18-14-24)40(4,5)6/h7-22H,1-6H3,(H,43,45,47)(H,44,46,48)
InChIKey IMPGJIZIMAQNGZ-UHFFFAOYSA-N
Molecular Weight 632.768 g/mol
SMILES N(C(c1ccc(C(C)(C)C)cc1)=O)c1nc2c3c(ccc(NC(c4ccc(C(C)(C)C)cc4)=O)n3)c3c(c2cc1)nc1c(n3)cccc1
SPLASH splash10-03e9-0900006000-94b15ea855dbf43a2c82
Source of Spectrum AJ-65-1010-0
Wiley ID 771432