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2-Allyl-5-butylpyrrolidine

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

2-Allyl-5-butylpyrrolidine
SpectraBase Compound ID IKQrCYmgBFS
InChI InChI=1S/C11H21N/c1-3-5-7-11-9-8-10(12-11)6-4-2/h4,10-12H,2-3,5-9H2,1H3/t10-,11-/m1/s1
InChIKey DOVYIINNRNXKJD-GHMZBOCLSA-N
Mol Weight 167.3 g/mol
Molecular Formula C11H21N
Exact Mass 167.1674 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HZxjRZxfcsN
Name 2-Allyl-5-butylpyrrolidine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 167.167399680 u
Formula C11H21N
InChI InChI=1S/C11H21N/c1-3-5-7-11-9-8-10(12-11)6-4-2/h4,10-12H,2-3,5-9H2,1H3/t10-,11-/m1/s1
InChIKey DOVYIINNRNXKJD-GHMZBOCLSA-N
Molecular Weight 167.296 g/mol
SMILES [C@]1(N[C@@](CC1)(CCCC)[H])(CC=C)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.956467