3-[4-(2-Cyanoethoxy)anilino]propanenitrile

SpectraBase Compound ID	N52GtadnHj
InChI	InChI=1S/C12H13N3O/c13-7-1-9-15-11-3-5-12(6-4-11)16-10-2-8-14/h3-6,15H,1-2,9-10H2
InChIKey	HABBHIXUJBRQCP-UHFFFAOYSA-N Google Search
Mol Weight	215.26 g/mol
Molecular Formula	C12H13N3O
Exact Mass	215.105862 g/mol

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SpectraBase Spectrum ID	CFsvNl7st1H
Name	3-[4-(2-Cyanoethoxy)anilino]propanenitrile
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	215.105862050 u
Formula	C12H13N3O
InChI	InChI=1S/C12H13N3O/c13-7-1-9-15-11-3-5-12(6-4-11)16-10-2-8-14/h3-6,15H,1-2,9-10H2
InChIKey	HABBHIXUJBRQCP-UHFFFAOYSA-N
Molecular Weight	215.256 g/mol
SMILES	C(CC#N)OC=1C=CC(NCCC#N)=CC1
Spectrum/Structure Validation Score (Vapor Phase IR)	0.939244