For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

threo-N-(3-hydroxy-2,4,4-trimethylpentanoyl)pyrrolidine

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

threo-N-(3-hydroxy-2,4,4-trimethylpentanoyl)pyrrolidine
SpectraBase Compound ID IXGwonuaNmr
InChI InChI=1S/C12H23NO2/c1-9(10(14)12(2,3)4)11(15)13-7-5-6-8-13/h9-10,14H,5-8H2,1-4H3
InChIKey IJGIXPBHVULCDX-UHFFFAOYSA-N
Mol Weight 213.32 g/mol
Molecular Formula C12H23NO2
Exact Mass 213.172879 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID FugoMuWDEno
Name Threo-N-(3-hydroxy-2,4,4-trimethylpentanoyl)pyrrolidine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 213.172878983 u
Formula C12H23NO2
InChI InChI=1S/C12H23NO2/c1-9(10(14)12(2,3)4)11(15)13-7-5-6-8-13/h9-10,14H,5-8H2,1-4H3
InChIKey IJGIXPBHVULCDX-UHFFFAOYSA-N
Molecular Weight 213.321 g/mol
SMILES C(C(C(C(C)(C)C)O)C)(N1CCCC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.895953