Pentanenitrile, 3-chloro-2-[(1,1-dimethylethyl)imino]-

SpectraBase Compound ID	AAcC0WUADMR
InChI	InChI=1S/C9H15ClN2/c1-5-7(10)8(6-11)12-9(2,3)4/h7H,5H2,1-4H3/b12-8+
InChIKey	AHBKNZTWUOGMTN-XYOKQWHBSA-N Google Search
Mol Weight	186.69 g/mol
Molecular Formula	C9H15ClN2
Exact Mass	186.092376 g/mol

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SpectraBase Spectrum ID	DYaN8Luh6j4
Name	Pentanenitrile, 3-chloro-2-[(1,1-dimethylethyl)imino]-
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	186.092376191 u
Formula	C9H15ClN2
InChI	InChI=1S/C9H15ClN2/c1-5-7(10)8(6-11)12-9(2,3)4/h7H,5H2,1-4H3/b12-8+
InChIKey	AHBKNZTWUOGMTN-XYOKQWHBSA-N
Molecular Weight	186.686 g/mol
SMILES	C(\N=C/(C#N)C(Cl)CC)(C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR)	0.949329