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Hexabenzo[e,i,m,s,w,a1][1,4,15,18]tetraazacyclooctacosine, 11,12,13,14,31,32,33,34-octahydro-
SpectraBase Compound ID 7fb0fxP4AXe
InChI InChI=1S/C48H44N4/c1-3-17-39-29-31-41-19-5-7-21-43(41)35-51-48-28-12-10-26-46(48)50-34-14-24-38-16-2-4-18-40(38)30-32-42-20-6-8-22-44(42)36-52-47-27-11-9-25-45(47)49-33-13-23-37(39)15-1/h1-6,9-20,23-34,51-52H,7-8,21-22,35-36H2/b23-13-,24-14+,31-29-,32-30+,49-33-,50-34+
InChIKey NNRGQVMHTGOCJB-RDACRVRASA-N
Mol Weight 676.9 g/mol
Molecular Formula C48H44N4
Exact Mass 676.356597 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0T95To1Nh2
Name Hexabenzo[e,i,m,s,w,a1][1,4,15,18]tetraazacyclooctacosine, 11,12,13,14,31,32,33,34-octahydro-
CAS Registry Number 69395-38-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C48H44N4
InChI InChI=1S/C48H44N4/c1-3-17-39-29-31-41-19-5-7-21-43(41)35-51-48-28-12-10-26-46(48)50-34-14-24-38-16-2-4-18-40(38)30-32-42-20-6-8-22-44(42)36-52-47-27-11-9-25-45(47)49-33-13-23-37(39)15-1/h1-6,9-20,23-34,51-52H,7-8,21-22,35-36H2/b23-13-,24-14+,31-29-,32-30+,49-33-,50-34+
InChIKey NNRGQVMHTGOCJB-RDACRVRASA-N
Molecular Weight 676.908 g/mol
SMILES N1CC=2CCC=CC2\C=C\c2c(\C=C\C=N\c3c(NCC4=C(\C=C/c5c(\C=C/C=N\c6c1cccc6)cccc5)C=CCC4)cccc3)cccc2
SPLASH splash10-014i-1933002000-aa4768a4b6136e3a60b2
Source of Spectrum H-61-2821-0
Synonyms 5,6,7,8,25,26,27,28-Octahydrohexabenao[b,f,j,p,t,x]-1,4,15,18-tetraazacyclooctacosene 5,6,7,8,25,26,27,28-octahydrohexabenzo[b,f,j,p,t,x][1,4,15,18]tetraazacyclooctacosine
Wiley ID 1414202