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(2E)-(1-methyl-4(1H)-quinolinylidene)ethanenitrile

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(2E)-(1-methyl-4(1H)-quinolinylidene)ethanenitrile
SpectraBase Compound ID 38jEOjDJdCy
InChI InChI=1S/C12H10N2/c1-14-9-7-10(6-8-13)11-4-2-3-5-12(11)14/h2-7,9H,1H3/b10-6+
InChIKey UERUUWLMAOFSOV-UXBLZVDNSA-N
Mol Weight 182.23 g/mol
Molecular Formula C12H10N2
Exact Mass 182.084398 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LtgsIUy14ZG
Name (2E)-(1-Methyl-4(1H)-quinolinylidene)ethanenitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 182.084398330 u
Formula C12H10N2
InChI InChI=1S/C12H10N2/c1-14-9-7-10(6-8-13)11-4-2-3-5-12(11)14/h2-7,9H,1H3/b10-6+
InChIKey UERUUWLMAOFSOV-UXBLZVDNSA-N
Molecular Weight 182.226 g/mol
SMILES C1=2N(C=C\C(C2C=CC=C1)=C\C#N)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.956321