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N-(3-keto-4,4-dimethyl-pentyl)-2,2-dimethyl-propionamide

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

N-(3-keto-4,4-dimethyl-pentyl)-2,2-dimethyl-propionamide
SpectraBase Compound ID 8Ltg9MEovOx
InChI InChI=1S/C12H23NO2/c1-11(2,3)9(14)7-8-13-10(15)12(4,5)6/h7-8H2,1-6H3,(H,13,15)
InChIKey LBUMBMBHKYSLJZ-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

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SpectraBase Spectrum ID BSu401AKk1R
Name N-(3-Keto-4,4-dimethyl-pentyl)-2,2-dimethyl-propionamide
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/c1-11(2,3)9(14)7-8-13-10(15)12(4,5)6/h7-8H2,1-6H3,(H,13,15)
InChIKey LBUMBMBHKYSLJZ-UHFFFAOYSA-N
Molecular Weight 213.321 g/mol
SMILES C(C(C)(C)C)(=O)NCCC(C(C)(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.968938