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2,12,14,24-Tetraoxa-1,13(1,3,2)-dibenzena-25(2,9)-1,10-phenanthrolinabicyclo[11,11,1]pentacosaphan-6,19-diene
SpectraBase Compound ID EJm2v6AfG6R
InChI InChI=1S/C42H44N2O4/c1-3-7-11-27-45-35-17-15-19-37-39(35)33-25-23-31-21-22-32-24-26-34(44-42(32)41(31)43-33)40-36(46-28-12-8-4-1)18-16-20-38(40)48-30-14-10-6-2-5-9-13-29-47-37/h1-3,5,15-26H,4,6-14,27-30H2/b3-1-,5-2+
InChIKey PFMJMHOPMPSTOR-CRZUQTJNSA-N
Mol Weight 640.8 g/mol
Molecular Formula C42H44N2O4
Exact Mass 640.330108 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 93c3FSsWuJS
Name 2,12,14,24-Tetraoxa-1,13(1,3,2)-dibenzena-25(2,9)-1,10-phenanthrolinabicyclo[11,11,1]pentacosaphan-6,19-diene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H44N2O4
InChI InChI=1S/C42H44N2O4/c1-3-7-11-27-45-35-17-15-19-37-39(35)33-25-23-31-21-22-32-24-26-34(44-42(32)41(31)43-33)40-36(46-28-12-8-4-1)18-16-20-38(40)48-30-14-10-6-2-5-9-13-29-47-37/h1-3,5,15-26H,4,6-14,27-30H2/b3-1-,5-2+
InChIKey PFMJMHOPMPSTOR-CRZUQTJNSA-N
Molecular Weight 640.824 g/mol
SMILES c1-2nc3c4nc(-c5c6OCCCC\C=C/CCCOc7c2c(OCCC\C=C\CCCCOc5ccc6)ccc7)ccc4ccc3cc1
SPLASH splash10-0006-0000009000-f20d1e9ed550ab4e522f
Source of Spectrum K1-2004-3124-4
Wiley ID 1561203