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13-Methylpentadecanoic acid, pyrrolidide

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13-Methylpentadecanoic acid, pyrrolidide
SpectraBase Compound ID 6Ep3JjJ9M9g
InChI InChI=1S/C20H39NO/c1-3-19(2)15-11-9-7-5-4-6-8-10-12-16-20(22)21-17-13-14-18-21/h19H,3-18H2,1-2H3
InChIKey KBGRQOADSUNWPC-UHFFFAOYSA-N
Mol Weight 309.5 g/mol
Molecular Formula C20H39NO
Exact Mass 309.303165 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IVQ8I37bbGF
Name 13-Methylpentadecanoic acid, pyrrolidide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 309.303164879 u
Formula C20H39NO
InChI InChI=1S/C20H39NO/c1-3-19(2)15-11-9-7-5-4-6-8-10-12-16-20(22)21-17-13-14-18-21/h19H,3-18H2,1-2H3
InChIKey KBGRQOADSUNWPC-UHFFFAOYSA-N
Molecular Weight 309.538 g/mol
SMILES C1N(CCC1)C(CCCCCCCCCCCC(CC)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.853901