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3-(2,3-Dimethyl-3-indolyl)propanenitrile

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

3-(2,3-Dimethyl-3-indolyl)propanenitrile
SpectraBase Compound ID JUHNDkSBXJu
InChI InChI=1S/C13H14N2/c1-10-13(2,8-5-9-14)11-6-3-4-7-12(11)15-10/h3-4,6-7H,5,8H2,1-2H3
InChIKey AACIOTMGFNJSCQ-UHFFFAOYSA-N
Mol Weight 198.27 g/mol
Molecular Formula C13H14N2
Exact Mass 198.115698 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LBBHJk20Pdx
Name 3-(2,3-Dimethyl-3-indolyl)propanenitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 198.115698459 u
Formula C13H14N2
InChI InChI=1S/C13H14N2/c1-10-13(2,8-5-9-14)11-6-3-4-7-12(11)15-10/h3-4,6-7H,5,8H2,1-2H3
InChIKey AACIOTMGFNJSCQ-UHFFFAOYSA-N
Molecular Weight 198.269 g/mol
SMILES C1(=NC2=C(C1(CCC#N)C)C=CC=C2)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.808414