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N-Methyl-2-(9'-phenylnonyl)-pyrrolidine;irniine

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

N-Methyl-2-(9'-phenylnonyl)-pyrrolidine;irniine
SpectraBase Compound ID 7idMWPmd72B
InChI InChI=1S/C20H33N/c1-21-18-12-17-20(21)16-11-6-4-2-3-5-8-13-19-14-9-7-10-15-19/h7,9-10,14-15,20H,2-6,8,11-13,16-18H2,1H3/t20-/m1/s1
InChIKey MNVHQKNDNJJRIX-HXUWFJFHSA-N
Mol Weight 287.5 g/mol
Molecular Formula C20H33N
Exact Mass 287.2613 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5J5sT377nBF
Name N-Methyl-2-(9'-phenylnonyl)-pyrrolidine;irniine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 287.261300067 u
Formula C20H33N
InChI InChI=1S/C20H33N/c1-21-18-12-17-20(21)16-11-6-4-2-3-5-8-13-19-14-9-7-10-15-19/h7,9-10,14-15,20H,2-6,8,11-13,16-18H2,1H3/t20-/m1/s1
InChIKey MNVHQKNDNJJRIX-HXUWFJFHSA-N
SMILES [C@]1(N(CCC1)C)(CCCCCCCCCC1=CC=CC=C1)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.927416