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10-Methyl-hexadecanoic acid, pyrrolidide

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

10-Methyl-hexadecanoic acid, pyrrolidide
SpectraBase Compound ID IH3me2IYEpS
InChI InChI=1S/C21H41NO/c1-3-4-5-10-15-20(2)16-11-8-6-7-9-12-17-21(23)22-18-13-14-19-22/h20H,3-19H2,1-2H3
InChIKey CNOHVMZKBSURPI-UHFFFAOYSA-N
Mol Weight 323.6 g/mol
Molecular Formula C21H41NO
Exact Mass 323.318815 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EQVboZj3x7f
Name 10-Methyl-hexadecanoic acid, pyrrolidide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 323.318814943 u
Formula C21H41NO
InChI InChI=1S/C21H41NO/c1-3-4-5-10-15-20(2)16-11-8-6-7-9-12-17-21(23)22-18-13-14-19-22/h20H,3-19H2,1-2H3
InChIKey CNOHVMZKBSURPI-UHFFFAOYSA-N
Molecular Weight 323.565 g/mol
SMILES C1N(CCC1)C(CCCCCCCCC(CCCCCC)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.916037