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5,5-Dimethyl-3-(pentylamino)-2-cyclohexen-1-one

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

5,5-Dimethyl-3-(pentylamino)-2-cyclohexen-1-one
SpectraBase Compound ID 4eQfRDk5X83
InChI InChI=1S/C13H23NO/c1-4-5-6-7-14-11-8-12(15)10-13(2,3)9-11/h8,14H,4-7,9-10H2,1-3H3
InChIKey FFEMJBAQTJMHCO-UHFFFAOYSA-N
Mol Weight 209.33 g/mol
Molecular Formula C13H23NO
Exact Mass 209.177964 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID FqK6KQrLGLY
Name 5,5-Dimethyl-3-(pentylamino)-2-cyclohexen-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 209.177964364 u
Formula C13H23NO
InChI InChI=1S/C13H23NO/c1-4-5-6-7-14-11-8-12(15)10-13(2,3)9-11/h8,14H,4-7,9-10H2,1-3H3
InChIKey FFEMJBAQTJMHCO-UHFFFAOYSA-N
Molecular Weight 209.333 g/mol
SMILES N(C1=CC(CC(C1)(C)C)=O)CCCCC
Spectrum/Structure Validation Score (Raman) 0.996912