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(4-Butylphenyl)pyrrolidin-1-yl-methanone

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

(4-Butylphenyl)pyrrolidin-1-yl-methanone
SpectraBase Compound ID 8hmiX6UrlRY
InChI InChI=1S/C15H21NO/c1-2-3-6-13-7-9-14(10-8-13)15(17)16-11-4-5-12-16/h7-10H,2-6,11-12H2,1H3
InChIKey MGCWRHHIVAOAME-UHFFFAOYSA-N
Mol Weight 231.34 g/mol
Molecular Formula C15H21NO
Exact Mass 231.162314 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 82Ab7oJok2R
Name (4-Butylphenyl)pyrrolidin-1-yl-methanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 231.162314299 u
Formula C15H21NO
InChI InChI=1S/C15H21NO/c1-2-3-6-13-7-9-14(10-8-13)15(17)16-11-4-5-12-16/h7-10H,2-6,11-12H2,1H3
InChIKey MGCWRHHIVAOAME-UHFFFAOYSA-N
Molecular Weight 231.339 g/mol
SMILES C1(C(N2CCCC2)=O)=CC=C(C=C1)CCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.962169