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1,3,3-TRIMETHYL-1-HYDROXY-2-ACETOXYMETHYLCYCLOHEXANE (ISOMER 1)
SpectraBase Compound ID 98ZOzBixJFE
InChI InChI=1S/C12H22O3/c1-9(13)15-8-10-11(2,3)6-5-7-12(10,4)14/h10,14H,5-8H2,1-4H3/t10-,12-/m0/s1
InChIKey FIUAGJYFGGIGLT-JQWIXIFHSA-N
Mol Weight 214.3 g/mol
Molecular Formula C12H22O3
Exact Mass 214.156895 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4fBUirH43lX
Name 1,3,3-TRIMETHYL-1-HYDROXY-2-ACETOXYMETHYLCYCLOHEXANE (ISOMER 1)
Comments #O
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H22O3
InChI InChI=1S/C12H22O3/c1-9(13)15-8-10-11(2,3)6-5-7-12(10,4)14/h10,14H,5-8H2,1-4H3/t10-,12-/m0/s1
InChIKey FIUAGJYFGGIGLT-JQWIXIFHSA-N
Instrument Name SEE COMMENT
Literature Reference O.A.GAVRILYUK, D.V.KORCHAGINA, I.YU.BAGRYANSKAYA, YU.V.GATILOV, V.A.BARKHASH(1992) Zhurn.Org.Khim.(Russ. Lang.): v.28, N8, 1602-1614.
NMR Standard CDCL3
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d