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2-Chloro-5,5-dimethyl-1,3-cyclohexanedione

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2-Chloro-5,5-dimethyl-1,3-cyclohexanedione
SpectraBase Compound ID IKo9fRrk22a
InChI InChI=1S/C8H11ClO2/c1-8(2)3-5(10)7(9)6(11)4-8/h7H,3-4H2,1-2H3
InChIKey VOBIHUAWDXUCPH-UHFFFAOYSA-N
Mol Weight 174.63 g/mol
Molecular Formula C8H11ClO2
Exact Mass 174.044757 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8xWNGnGLXe1
Name 2-Chloro-5,5-dimethyl-1,3-cyclohexanedione
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 286729
CAS Registry Number 7298-89-7
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H11ClO2
InChI InChI=1S/C8H11ClO2/c1-8(2)3-5(10)7(9)6(11)4-8/h7H,3-4H2,1-2H3
InChIKey VOBIHUAWDXUCPH-UHFFFAOYSA-N
Observed nucleus 13C
Purity 98%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 2-Chlorodimedone
Wiley ID SIAL_13CNMR_005432