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13-Cyclopentenyl-tridecanoic acid, pyrrolidide

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13-Cyclopentenyl-tridecanoic acid, pyrrolidide
SpectraBase Compound ID COC6gqg2Rd5
InChI InChI=1S/C22H39NO/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/h11,16,21H,1-10,12-15,17-20H2
InChIKey IZYQIKGPMLOGJC-UHFFFAOYSA-N
Mol Weight 333.6 g/mol
Molecular Formula C22H39NO
Exact Mass 333.303165 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 30Fb1efEgod
Name 13-Cyclopentenyl-tridecanoic acid, pyrrolidide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 333.303164879 u
Formula C22H39NO
InChI InChI=1S/C22H39NO/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/h11,16,21H,1-10,12-15,17-20H2
InChIKey IZYQIKGPMLOGJC-UHFFFAOYSA-N
Molecular Weight 333.560 g/mol
SMILES C1(CCC=C1)CCCCCCCCCCCCC(N1CCCC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.862903