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(+-)-1-[(Methylbenzyl)amino]cyclopropanecarbonitrile

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(+-)-1-[(Methylbenzyl)amino]cyclopropanecarbonitrile
SpectraBase Compound ID BuceaE7tO21
InChI InChI=1S/C12H14N2/c1-10(11-5-3-2-4-6-11)14-12(9-13)7-8-12/h2-6,10,14H,7-8H2,1H3
InChIKey PWLJGTQIHBUHOL-UHFFFAOYSA-N
Mol Weight 186.26 g/mol
Molecular Formula C12H14N2
Exact Mass 186.115698 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CMll0vEA9Bq
Name (+-)-1-[(methylbenzyl)amino]cyclopropanecarbonitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 186.115698459 u
Formula C12H14N2
InChI InChI=1S/C12H14N2/c1-10(11-5-3-2-4-6-11)14-12(9-13)7-8-12/h2-6,10,14H,7-8H2,1H3
InChIKey PWLJGTQIHBUHOL-UHFFFAOYSA-N
Molecular Weight 186.258 g/mol
SMILES C1(NC(C2=CC=CC=C2)C)(C#N)CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.855835