1-Azacycloheptane-1-thiocarboxylic acid 2-[1-[2-pyridyl]ethylidene]-

SpectraBase Compound ID	1SownHPTo7j
InChI	InChI=1S/C15H22N4S/c1-13(14-9-5-6-10-16-14)17-18(2)15(20)19-11-7-3-4-8-12-19/h5-6,9-10H,3-4,7-8,11-12H2,1-2H3/b17-13+
InChIKey	BIELIZKTBMULOI-GHRIWEEISA-N Google Search
Mol Weight	290.43 g/mol
Molecular Formula	C15H22N4S
Exact Mass	290.156518 g/mol

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SpectraBase Spectrum ID	DkWivNGX8rv
Name	1-Azacycloheptane-1-thiocarboxylic acid 2-[1-[2-pyridyl]ethylidene]-
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	290.156517898 u
Formula	C15H22N4S
InChI	InChI=1S/C15H22N4S/c1-13(14-9-5-6-10-16-14)17-18(2)15(20)19-11-7-3-4-8-12-19/h5-6,9-10H,3-4,7-8,11-12H2,1-2H3/b17-13+
InChIKey	BIELIZKTBMULOI-GHRIWEEISA-N
Molecular Weight	290.429 g/mol
SMILES	C1(=CC=CC=N1)\C(=N\N(C(=S)N1CCCCCC1)C)C
Spectrum/Structure Validation Score (Vapor Phase IR)	0.863445