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2-(2-methyl-1H-isoquinolin-1-yl)acetonitrile

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2-(2-methyl-1H-isoquinolin-1-yl)acetonitrile
SpectraBase Compound ID 4zd7FeoDCFF
InChI InChI=1S/C12H12N2/c1-14-9-7-10-4-2-3-5-11(10)12(14)6-8-13/h2-5,7,9,12H,6H2,1H3
InChIKey ILOONOAKHBFUQI-UHFFFAOYSA-N
Mol Weight 184.24 g/mol
Molecular Formula C12H12N2
Exact Mass 184.100048 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CSrDBDeVm4m
Name 2-(2-Methyl-1H-isoquinolin-1-yl)acetonitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 184.100048394 u
Formula C12H12N2
InChI InChI=1S/C12H12N2/c1-14-9-7-10-4-2-3-5-11(10)12(14)6-8-13/h2-5,7,9,12H,6H2,1H3
InChIKey ILOONOAKHBFUQI-UHFFFAOYSA-N
Molecular Weight 184.242 g/mol
SMILES C1(N(C=CC=2C=CC=CC12)C)CC#N
Spectrum/Structure Validation Score (Vapor Phase IR) 0.921201