5,12-Bis(diethylaminomethyl)dibenzo[ae]cyclooctene

SpectraBase Compound ID	CccvvyXsBun
InChI	InChI=1S/C26H34N2/c1-5-27(6-2)19-23-17-21-13-9-10-14-22(21)18-24(20-28(7-3)8-4)26-16-12-11-15-25(23)26/h9-18H,5-8,19-20H2,1-4H3/b21-17-,22-18-,23-17-,24-18-,25-23+,26-24+
InChIKey	GRTSCMCJBHLXPM-OEEMXBHBSA-N Google Search
Mol Weight	374.6 g/mol
Molecular Formula	C26H34N2
Exact Mass	374.272199 g/mol

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SpectraBase Spectrum ID	JYMTnAl51Vd
Name	5,12-bis(Diethylaminomethyl)dibenzo[ae]cyclooctene
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	374.272199103 u
Formula	C26H34N2
InChI	InChI=1S/C26H34N2/c1-5-27(6-2)19-23-17-21-13-9-10-14-22(21)18-24(20-28(7-3)8-4)26-16-12-11-15-25(23)26/h9-18H,5-8,19-20H2,1-4H3/b21-17-,22-18-,23-17-,24-18-,25-23+,26-24+
InChIKey	GRTSCMCJBHLXPM-OEEMXBHBSA-N
Molecular Weight	374.572 g/mol
SMILES	C1=2\C=C/(C3=C(\C(=C/C2C=CC=C1)CN(CC)CC)C=CC=C3)CN(CC)CC
Spectrum/Structure Validation Score (Vapor Phase IR)	0.801691