Pyrrolidine, 1-[1-oxo-5-(3-undecyloxiranyl)pentyl]-

SpectraBase Compound ID	AF8mCyBjbP0
InChI	InChI=1S/C22H41NO2/c1-2-3-4-5-6-7-8-9-10-15-20-21(25-20)16-11-12-17-22(24)23-18-13-14-19-23/h20-21H,2-19H2,1H3
InChIKey	OTNUUIIVGJTXGI-UHFFFAOYSA-N Google Search
Mol Weight	351.6 g/mol
Molecular Formula	C22H41NO2
Exact Mass	351.31373 g/mol

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SpectraBase Spectrum ID	EKjHqjUCYI1
Name	Pyrrolidine, 1-[1-oxo-5-(3-undecyloxiranyl)pentyl]-
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	351.313729562 u
Formula	C22H41NO2
InChI	InChI=1S/C22H41NO2/c1-2-3-4-5-6-7-8-9-10-15-20-21(25-20)16-11-12-17-22(24)23-18-13-14-19-23/h20-21H,2-19H2,1H3
InChIKey	OTNUUIIVGJTXGI-UHFFFAOYSA-N
Molecular Weight	351.575 g/mol
SMILES	C(CCCC(=O)N1CCCC1)C1C(CCCCCCCCCCC)O1
Spectrum/Structure Validation Score (Vapor Phase IR)	0.824083