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2-Hydroxy-octadecanooic acid, pyrrolidide

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

2-Hydroxy-octadecanooic acid, pyrrolidide
SpectraBase Compound ID 4yxY9o5hlUt
InChI InChI=1S/C22H43NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21(24)22(25)23-19-16-17-20-23/h21,24H,2-20H2,1H3
InChIKey PNKHJSMSXKDAPR-UHFFFAOYSA-N
Mol Weight 353.6 g/mol
Molecular Formula C22H43NO2
Exact Mass 353.32938 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DIa7f471NFW
Name 2-Hydroxy-octadecanooic acid, pyrrolidide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 353.329379627 u
Formula C22H43NO2
InChI InChI=1S/C22H43NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21(24)22(25)23-19-16-17-20-23/h21,24H,2-20H2,1H3
InChIKey PNKHJSMSXKDAPR-UHFFFAOYSA-N
Molecular Weight 353.591 g/mol
SMILES C1N(CCC1)C(C(O)CCCCCCCCCCCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.846527