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2-Hexadecyl-5-methylpyrrolidine

View entire compound with spectra: 1 NMR, and 1 FTIR

2-Hexadecyl-5-methylpyrrolidine
SpectraBase Compound ID 3ZUiwN6y62H
InChI InChI=1S/C21H43N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-19-18-20(2)22-21/h20-22H,3-19H2,1-2H3
InChIKey GIJSHCJKWUIYOI-UHFFFAOYSA-N
Mol Weight 309.6 g/mol
Molecular Formula C21H43N
Exact Mass 309.33955 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CKaKQLzF2bZ
Name 2-Hexadecyl-5-methylpyrrolidine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 309.339550389 u
Formula C21H43N
InChI InChI=1S/C21H43N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-19-18-20(2)22-21/h20-22H,3-19H2,1-2H3
InChIKey GIJSHCJKWUIYOI-UHFFFAOYSA-N
Molecular Weight 309.582 g/mol
SMILES C1(NC(C)CC1)CCCCCCCCCCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.904826