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10,13-Octadecadienooic acid, pyrrolidide

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

10,13-Octadecadienooic acid, pyrrolidide
SpectraBase Compound ID CUTVjLmbPDd
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/h5-8H,2-4,9-21H2,1H3/b6-5-,8-7-
InChIKey ZWFKMRBPSWNRBH-ISTTXYCBSA-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 4PFs6NfLCXA
Name 10,13-Octadecadienooic acid, pyrrolidide
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/h5-8H,2-4,9-21H2,1H3/b6-5-,8-7-
InChIKey ZWFKMRBPSWNRBH-ISTTXYCBSA-N
Molecular Weight 333.560 g/mol
SMILES C(N1CCCC1)(CCCCCCCCC\C=C/C=C\CCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.852675