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3,5,5-Trimethyl-2-cyclohexen-1-one

View entire compound with spectra: 46 NMR, 18 FTIR, 2 Raman, 1 UV-Vis, 34 MS (GC), and 2 Near IR

3,5,5-Trimethyl-2-cyclohexen-1-one
SpectraBase Compound ID ClwX0E72fmw
InChI InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3
InChIKey HJOVHMDZYOCNQW-UHFFFAOYSA-N
Mol Weight 138.21 g/mol
Molecular Formula C9H14O
Exact Mass 138.104465 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2PoG5x4BOpy
Name Isophorone
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number I18709
CAS Registry Number 78-59-1
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14O
InChI InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3
InChIKey HJOVHMDZYOCNQW-UHFFFAOYSA-N
Observed nucleus 13C
Purity 97%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 3,5,5-Trimethyl-2-cyclohexen-1-one
Wiley ID SIAL_13CNMR_012130