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N-(5,5-dimethyl-3-oxo-1-cyclohexen-1-yl)glycine

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 Raman

N-(5,5-dimethyl-3-oxo-1-cyclohexen-1-yl)glycine
SpectraBase Compound ID BVGXATv4H8b
InChI InChI=1S/C10H15NO3/c1-10(2)4-7(3-8(12)5-10)11-6-9(13)14/h3,11H,4-6H2,1-2H3,(H,13,14)
InChIKey MKILHWOJDFVJNQ-UHFFFAOYSA-N
Mol Weight 197.23 g/mol
Molecular Formula C10H15NO3
Exact Mass 197.105193 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 6DaQNkcCeIh
Name N-(5,5-Dimethyl-3-oxo-1-cyclohexen-1-yl)glycine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 197.105193344 u
Formula C10H15NO3
InChI InChI=1S/C10H15NO3/c1-10(2)4-7(3-8(12)5-10)11-6-9(13)14/h3,11H,4-6H2,1-2H3,(H,13,14)
InChIKey MKILHWOJDFVJNQ-UHFFFAOYSA-N
Molecular Weight 197.234 g/mol
SMILES N(C1=CC(CC(C1)(C)C)=O)CC(O)=O
Spectrum/Structure Validation Score (Raman) 0.967435