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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HyZdO7LTCzP
Name threo-N-(3-hydroxy-2,4,4-trimethylpentanoyl)pyrrolidine
Alternate Name(s) 2,4,4-trimethyl-1-oxo-1-(1-pyrrolidinyl)-3-pentanol
CAS Registry Number 116596-07-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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 OC(C(C(N1CCCC1)=O)C)C(C)(C)C
SPLASH splash10-052b-9300000000-3cafc64d97e3f5004ee4
Source of Spectrum J-53-5414-21
Wiley ID 1212625