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N-methyl-N-(3-(o-tolyl)prop-2-yn-1-yl)cyclohexanamine

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

N-methyl-N-(3-(o-tolyl)prop-2-yn-1-yl)cyclohexanamine
SpectraBase Compound ID DmgSkepmfcW
InChI InChI=1S/C17H23N/c1-15-9-6-7-10-16(15)11-8-14-18(2)17-12-4-3-5-13-17/h6-7,9-10,17H,3-5,12-14H2,1-2H3
InChIKey QJHIKCVJTNEQCR-UHFFFAOYSA-N
Mol Weight 241.38 g/mol
Molecular Formula C17H23N
Exact Mass 241.18305 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8lsUA4REgn4
Name N-Methyl-N-(3-(o-tolyl)prop-2-yn-1-yl)cyclohexanamine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 241.183049745 u
Formula C17H23N
InChI InChI=1S/C17H23N/c1-15-9-6-7-10-16(15)11-8-14-18(2)17-12-4-3-5-13-17/h6-7,9-10,17H,3-5,12-14H2,1-2H3
InChIKey QJHIKCVJTNEQCR-UHFFFAOYSA-N
Molecular Weight 241.378 g/mol
SMILES C=1C=C(C(C#CCN(C2CCCCC2)C)=CC1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.922569