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Pyrrolidine, 1-(1-oxo-7-methyl-8-hexadecenyl)-

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

Pyrrolidine, 1-(1-oxo-7-methyl-8-hexadecenyl)-
SpectraBase Compound ID 5vfEAHI0T8z
InChI InChI=1S/C21H39NO/c1-3-4-5-6-7-8-10-15-20(2)16-11-9-12-17-21(23)22-18-13-14-19-22/h10,15,20H,3-9,11-14,16-19H2,1-2H3/b15-10+
InChIKey CLCOLUCTLDSCJE-XNTDXEJSSA-N
Mol Weight 321.5 g/mol
Molecular Formula C21H39NO
Exact Mass 321.303165 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AtG7s3oGJod
Name Pyrrolidine, 1-(1-oxo-7-methyl-8-hexadecenyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 321.303164879 u
Formula C21H39NO
InChI InChI=1S/C21H39NO/c1-3-4-5-6-7-8-10-15-20(2)16-11-9-12-17-21(23)22-18-13-14-19-22/h10,15,20H,3-9,11-14,16-19H2,1-2H3/b15-10+
InChIKey CLCOLUCTLDSCJE-XNTDXEJSSA-N
Molecular Weight 321.549 g/mol
SMILES C1CN(C(CCCCCC(C)\C=C\CCCCCCC)=O)CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.973198