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15-Methyl-docosanoic acid, pyrrolidide

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15-Methyl-docosanoic acid, pyrrolidide
SpectraBase Compound ID 70Ub6yjNCvE
InChI InChI=1S/C27H53NO/c1-3-4-5-13-16-21-26(2)22-17-14-11-9-7-6-8-10-12-15-18-23-27(29)28-24-19-20-25-28/h26H,3-25H2,1-2H3
InChIKey XFFIZVUFFWVRMT-UHFFFAOYSA-N
Mol Weight 407.7 g/mol
Molecular Formula C27H53NO
Exact Mass 407.412715 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID K1b2z0QraxF
Name 15-Methyl-docosanoic acid, pyrrolidide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 407.412715330 u
Formula C27H53NO
InChI InChI=1S/C27H53NO/c1-3-4-5-13-16-21-26(2)22-17-14-11-9-7-6-8-10-12-15-18-23-27(29)28-24-19-20-25-28/h26H,3-25H2,1-2H3
InChIKey XFFIZVUFFWVRMT-UHFFFAOYSA-N
Molecular Weight 407.727 g/mol
SMILES C(N1CCCC1)(CCCCCCCCCCCCCC(CCCCCCC)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.936155