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3Ab, 8-dimethyl-1,3a,6,7,8,8ab-hexahydro-azulen-3(2H),4(5H)-dione

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3Ab, 8-dimethyl-1,3a,6,7,8,8ab-hexahydro-azulen-3(2H),4(5H)-dione
SpectraBase Compound ID 5UbqiNlIEWh
InChI InChI=1S/C12H18O2/c1-8-4-3-5-10(13)12(2)9(8)6-7-11(12)14/h8-9H,3-7H2,1-2H3
InChIKey MSESPXDDRSJSJC-UHFFFAOYSA-N
Mol Weight 194.27 g/mol
Molecular Formula C12H18O2
Exact Mass 194.13068 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JRAfm80DvG5
Name 3Ab, 8-dimethyl-1,3a,6,7,8,8ab-hexahydro-azulen-3(2H),4(5H)-dione
CAS Registry Number 83096-55-3
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H18O2
InChI InChI=1S/C12H18O2/c1-8-4-3-5-10(13)12(2)9(8)6-7-11(12)14/h8-9H,3-7H2,1-2H3
InChIKey MSESPXDDRSJSJC-UHFFFAOYSA-N
Instrument Name Nicolet TT-23
Literature Reference C.H. Heathcock, C.M. Tice, T.C. Germroth, J. Am. Chem. Soc. 104, 6081 (1982).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3