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13-Cyclopentyltridecanoic acid, pyrrolidide

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

13-Cyclopentyltridecanoic acid, pyrrolidide
SpectraBase Compound ID 2aBqJ6PD5Qe
InChI InChI=1S/C22H41NO/c24-22(23-19-13-14-20-23)18-10-8-6-4-2-1-3-5-7-9-15-21-16-11-12-17-21/h21H,1-20H2
InChIKey AAZBKBQNRVTSIH-UHFFFAOYSA-N
Mol Weight 335.6 g/mol
Molecular Formula C22H41NO
Exact Mass 335.318815 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LghgL92koct
Name 13-Cyclopentyltridecanoic acid, pyrrolidide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 335.318814943 u
Formula C22H41NO
InChI InChI=1S/C22H41NO/c24-22(23-19-13-14-20-23)18-10-8-6-4-2-1-3-5-7-9-15-21-16-11-12-17-21/h21H,1-20H2
InChIKey AAZBKBQNRVTSIH-UHFFFAOYSA-N
Molecular Weight 335.576 g/mol
SMILES C1(CCCC1)CCCCCCCCCCCCC(N1CCCC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.849485