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21-Methyl-hexacosanoic acid, pyrrolidide

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

21-Methyl-hexacosanoic acid, pyrrolidide
SpectraBase Compound ID 5N8DdJMwW98
InChI InChI=1S/C31H61NO/c1-3-4-20-25-30(2)26-21-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-22-27-31(33)32-28-23-24-29-32/h30H,3-29H2,1-2H3
InChIKey VGMSNPPSGZPXKJ-UHFFFAOYSA-N
Mol Weight 463.8 g/mol
Molecular Formula C31H61NO
Exact Mass 463.475316 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1rNTEembSju
Name 21-Methyl-hexacosanoic acid, pyrrolidide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 463.475315587 u
Formula C31H61NO
InChI InChI=1S/C31H61NO/c1-3-4-20-25-30(2)26-21-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-22-27-31(33)32-28-23-24-29-32/h30H,3-29H2,1-2H3
InChIKey VGMSNPPSGZPXKJ-UHFFFAOYSA-N
Molecular Weight 463.835 g/mol
SMILES C(N1CCCC1)(CCCCCCCCCCCCCCCCCCCC(CCCCC)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.94198