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2,7-dicyclohexyl-4,9-bis(cyclohexylamino)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone
SpectraBase Compound ID HN3IgMp9OTl
InChI InChI=1S/C38H48N4O4/c43-35-27-21-29(39-23-13-5-1-6-14-23)33-31-28(36(44)41(37(33)45)25-17-9-3-10-18-25)22-30(40-24-15-7-2-8-16-24)34(32(27)31)38(46)42(35)26-19-11-4-12-20-26/h21-26,39-40H,1-20H2
InChIKey OUUDYIODAWBTLF-UHFFFAOYSA-N
Mol Weight 624.8 g/mol
Molecular Formula C38H48N4O4
Exact Mass 624.367556 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BS9IXxIlQ5s
Name 2,7-dicyclohexyl-4,9-bis(cyclohexylamino)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H48N4O4
InChI InChI=1S/C38H48N4O4/c43-35-27-21-29(39-23-13-5-1-6-14-23)33-31-28(36(44)41(37(33)45)25-17-9-3-10-18-25)22-30(40-24-15-7-2-8-16-24)34(32(27)31)38(46)42(35)26-19-11-4-12-20-26/h21-26,39-40H,1-20H2
InChIKey OUUDYIODAWBTLF-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1002/cctc.202100359
Molecular Weight 624.826 g/mol
SMILES N(c1cc2c3c(c(cc4C(N(C(c1c34)=O)C1CCCCC1)=O)NC1CCCCC1)C(N(C2=O)C1CCCCC1)=O)C1CCCCC1
SPLASH splash10-00di-1000009000-4c5e5970871cc996764b
Source of Spectrum CCC-13-SM10-NDI5
Wiley ID 1854282