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3-keto-N-[(1R)-1-methylpropyl]butyramide

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

3-keto-N-[(1R)-1-methylpropyl]butyramide
SpectraBase Compound ID L3BMcW98rzI
InChI InChI=1S/C8H15NO2/c1-4-6(2)9-8(11)5-7(3)10/h6H,4-5H2,1-3H3,(H,9,11)/t6-/m1/s1
InChIKey CTOICXZEEXECEK-ZCFIWIBFSA-N
Mol Weight 157.21 g/mol
Molecular Formula C8H15NO2
Exact Mass 157.110279 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1MXo16BzcQJ
Name 3-Keto-N-[(1R)-1-methylpropyl]butyramide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 157.110278725 u
Formula C8H15NO2
InChI InChI=1S/C8H15NO2/c1-4-6(2)9-8(11)5-7(3)10/h6H,4-5H2,1-3H3,(H,9,11)/t6-/m1/s1
InChIKey CTOICXZEEXECEK-ZCFIWIBFSA-N
Molecular Weight 157.213 g/mol
SMILES C(CC(=O)C)(N[C@@](CC)(C)[H])=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.972176