Tetrabenzo[b,d,h,j][1,6]diazacyclododecine

SpectraBase Compound ID	5sZA3bwShLa
InChI	InChI=1S/C26H18N2/c1-3-11-21-19(9-1)17-27-25-15-7-5-13-23(25)24-14-6-8-16-26(24)28-18-20-10-2-4-12-22(20)21/h1-18H/b19-17-,20-18-,22-21-,24-23-,27-17-,27-25-,28-18-,28-26-
InChIKey	IJXNIPITMSENPV-UIUHIEDHSA-N Google Search
Mol Weight	358.44 g/mol
Molecular Formula	C26H18N2
Exact Mass	358.146999 g/mol

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SpectraBase Spectrum ID	1Yj4sb2NMIU
Name	Tetrabenzo[B,D,H,J][1,6]diazacyclododecine
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	358.146998588 u
Formula	C26H18N2
InChI	InChI=1S/C26H18N2/c1-3-11-21-19(9-1)17-27-25-15-7-5-13-23(25)24-14-6-8-16-26(24)28-18-20-10-2-4-12-22(20)21/h1-18H/b19-17-,20-18-,22-21-,24-23-,27-17-,27-25-,28-18-,28-26-
InChIKey	IJXNIPITMSENPV-UIUHIEDHSA-N
Molecular Weight	358.444 g/mol
SMILES	C=12\C=N/C=3C(C=4C(\N=C/C=5C(C2=CC=CC1)=CC=CC5)=CC=CC4)=CC=CC3
Spectrum/Structure Validation Score (Vapor Phase IR)	0.838632