2-Dicyanomethylene-4-phenyl-(5aR,9at)-1,5,5a,6,7,8,9,9a-octahydrobenzo[f]1,3,5-triazepine

SpectraBase Compound ID	5XeWdt15Kub
InChI	InChI=1S/C17H17N5/c18-10-13(11-19)17-21-15-9-5-4-8-14(15)20-16(22-17)12-6-2-1-3-7-12/h1-3,6-7,14-15,21H,4-5,8-9H2,(H,20,22)/t14-,15-/m0/s1
InChIKey	QGMZDBXDURIIPN-GJZGRUSLSA-N Google Search
Mol Weight	291.36 g/mol
Molecular Formula	C17H17N5
Exact Mass	291.148396 g/mol

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SpectraBase Spectrum ID	BdBNN9YFavC
Name	2-Dicyanomethylene-4-phenyl-(5aR,9at)-1,5,5a,6,7,8,9,9a-octahydrobenzo[f]1,3,5-triazepine
Alternate Name(s)	2-Dicyanomethylidene-4-phenyl-(5aS,9aS)-1,5,5a,6,7,8,9,9a-octahydrobenzo[f]1,3,5-triazepine 2-[(5aS,9aS)-4-phenyl-1,5,5a,6,7,8,9,9a-octahydro-2H-1,3,5-benzotriazepin-2-ylidene]malononitrile
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C17H17N5
InChI	InChI=1S/C17H17N5/c18-10-13(11-19)17-21-15-9-5-4-8-14(15)20-16(22-17)12-6-2-1-3-7-12/h1-3,6-7,14-15,21H,4-5,8-9H2,(H,20,22)/t14-,15-/m0/s1
InChIKey	QGMZDBXDURIIPN-GJZGRUSLSA-N
Molecular Weight	291.358 g/mol
SMILES	N1[C@]2(CCCC[C@@]2(NC(=NC1=C(C#N)C#N)c1ccccc1)[H])[H]
SPLASH	splash10-0006-2690000000-2fff6f69a53135e22f2e
Source of Spectrum	H1-43-1947-6
Wiley ID	757969