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5,5-Dimethyl-3-(1-pyrrolidinyl)-2-cyclohexen-1-on

View entire compound with spectra: 4 NMR, 2 FTIR, and 1 Raman

5,5-Dimethyl-3-(1-pyrrolidinyl)-2-cyclohexen-1-on
SpectraBase Compound ID KoU3I4arHJI
InChI InChI=1S/C12H19NO/c1-12(2)8-10(7-11(14)9-12)13-5-3-4-6-13/h7H,3-6,8-9H2,1-2H3
InChIKey QUHBLBSKTJUBLZ-UHFFFAOYSA-N
Mol Weight 193.29 g/mol
Molecular Formula C12H19NO
Exact Mass 193.146664 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID KjmhaxGr7UT
Name 5,5-Dimethyl-3-(1-pyrrolidinyl)-2-cyclohexen-1-on
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 193.146664235 u
Formula C12H19NO
InChI InChI=1S/C12H19NO/c1-12(2)8-10(7-11(14)9-12)13-5-3-4-6-13/h7H,3-6,8-9H2,1-2H3
InChIKey QUHBLBSKTJUBLZ-UHFFFAOYSA-N
Molecular Weight 193.290 g/mol
SMILES C1(=O)C=C(N2CCCC2)CC(C)(C)C1
Spectrum/Structure Validation Score (Raman) 0.994155