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Pyrrolidine, 1-(1-oxo-9,12-octadecadienyl)-

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

Pyrrolidine, 1-(1-oxo-9,12-octadecadienyl)-
SpectraBase Compound ID DhclUATyIHR
InChI InChI=1S/C22H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22(24)23-20-17-18-21-23/h6-7,9-10H,2-5,8,11-21H2,1H3/b7-6+,10-9+
InChIKey RLJFUUUSNKIMQJ-AVQMFFATSA-N
Mol Weight 333.6 g/mol
Molecular Formula C22H39NO
Exact Mass 333.303165 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 38EssFQOxu6
Name Pyrrolidine, 1-(1-oxo-9,12-octadecadienyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 333.303164879 u
Formula C22H39NO
InChI InChI=1S/C22H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22(24)23-20-17-18-21-23/h6-7,9-10H,2-5,8,11-21H2,1H3/b7-6+,10-9+
InChIKey RLJFUUUSNKIMQJ-AVQMFFATSA-N
Molecular Weight 333.560 g/mol
SMILES C(C(=O)N1CCCC1)CCCCCC\C=C\C\C=C\CCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.827263