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8,12-Octadecadienoic acid, pyrrolidide

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

8,12-Octadecadienoic acid, pyrrolidide
SpectraBase Compound ID 4bvkzS2bixE
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/h6-7,10-11H,2-5,8-9,12-21H2,1H3/b7-6-,11-10-
InChIKey RFLZBYLROMFPSB-QOXWLJPHSA-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 3I2H2ysAoB
Name 8,12-Octadecadienoic 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/h6-7,10-11H,2-5,8-9,12-21H2,1H3/b7-6-,11-10-
InChIKey RFLZBYLROMFPSB-QOXWLJPHSA-N
Molecular Weight 333.560 g/mol
SMILES C(N1CCCC1)(CCCCCC\C=C/CC\C=C/CCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.976292