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5,9,19-Octacosatrienoic acid, pyrrolidide

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

5,9,19-Octacosatrienoic acid, pyrrolidide
SpectraBase Compound ID FbJJbi32X4r
InChI InChI=1S/C32H57NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-29-32(34)33-30-27-28-31-33/h9-10,19-20,23-24H,2-8,11-18,21-22,25-31H2,1H3/b10-9-,20-19-,24-23-
InChIKey QNHAYKVESVBFTH-ODVDNBHRSA-N
Mol Weight 471.8 g/mol
Molecular Formula C32H57NO
Exact Mass 471.444015 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID A3wcysV8HNS
Name 5,9,19-Octacosatrienoic acid, pyrrolidide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 471.444015458 u
Formula C32H57NO
InChI InChI=1S/C32H57NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-29-32(34)33-30-27-28-31-33/h9-10,19-20,23-24H,2-8,11-18,21-22,25-31H2,1H3/b10-9-,20-19-,24-23-
InChIKey QNHAYKVESVBFTH-ODVDNBHRSA-N
Molecular Weight 471.814 g/mol
SMILES C(N1CCCC1)(CCC\C=C/CC\C=C/CCCCCCCC\C=C/CCCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.974506