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Pyrrolidine, 1-(1-oxo-6,9,12-octadecatrienyl)-

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

Pyrrolidine, 1-(1-oxo-6,9,12-octadecatrienyl)-
SpectraBase Compound ID 6hVaY8p6VWH
InChI InChI=1S/C22H37NO/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/h6-7,9-10,12-13H,2-5,8,11,14-21H2,1H3/b7-6+,10-9+,13-12+
InChIKey BYNRUUIQJJKFPX-YHTMAJSVSA-N
Mol Weight 331.5 g/mol
Molecular Formula C22H37NO
Exact Mass 331.287515 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7wIYWYDUqZ2
Name Pyrrolidine, 1-(1-oxo-6,9,12-octadecatrienyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 331.287514814 u
Formula C22H37NO
InChI InChI=1S/C22H37NO/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/h6-7,9-10,12-13H,2-5,8,11,14-21H2,1H3/b7-6+,10-9+,13-12+
InChIKey BYNRUUIQJJKFPX-YHTMAJSVSA-N
Molecular Weight 331.544 g/mol
SMILES C(C(=O)N1CCCC1)CCC\C=C\C\C=C\C\C=C\CCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.96474