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3-Hydroxy-decanoic acid, pyrrolidide

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

3-Hydroxy-decanoic acid, pyrrolidide
SpectraBase Compound ID DFHijR6msxl
InChI InChI=1S/C14H27NO2/c1-2-3-4-5-6-9-13(16)12-14(17)15-10-7-8-11-15/h13,16H,2-12H2,1H3
InChIKey CXFTZEWBMATGPK-UHFFFAOYSA-N
Mol Weight 241.37 g/mol
Molecular Formula C14H27NO2
Exact Mass 241.204179 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9ezSpRfgsqO
Name 3-Hydroxy-decanoic acid, pyrrolidide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 241.204179111 u
Formula C14H27NO2
InChI InChI=1S/C14H27NO2/c1-2-3-4-5-6-9-13(16)12-14(17)15-10-7-8-11-15/h13,16H,2-12H2,1H3
InChIKey CXFTZEWBMATGPK-UHFFFAOYSA-N
Molecular Weight 241.375 g/mol
SMILES C(N1CCCC1)(CC(CCCCCCC)O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.885052