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BADXJIPKFRBFOT-UHFFFAOYSA-N

View entire compound with spectra: 8 NMR, 7 FTIR, 1 Raman, and 7 MS (GC)

BADXJIPKFRBFOT-UHFFFAOYSA-N
SpectraBase Compound ID H3qrcyRBKTm
InChI InChI=1S/C8H12O2/c1-8(2)4-6(9)3-7(10)5-8/h3-5H2,1-2H3
InChIKey BADXJIPKFRBFOT-UHFFFAOYSA-N
Mol Weight 140.18 g/mol
Molecular Formula C8H12O2
Exact Mass 140.08373 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EFaq1ItnxGP
Name 5,5-Dimethyl-1,3-cyclohexanedione
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number D153303
CAS Registry Number 126-81-8
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12O2
InChI InChI=1S/C8H12O2/c1-8(2)4-6(9)3-7(10)5-8/h3-5H2,1-2H3
InChIKey BADXJIPKFRBFOT-UHFFFAOYSA-N
Observed nucleus 13C
Purity 95%
Solvent CDCl3 & DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms Dimedone Methone
Wiley ID SIAL_13CNMR_011424