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4,7,7-TRIMETHYL-3,4,5,6,7,8-HEXAHYDROBENZOPYRANE-2(H),5-DIONE
SpectraBase Compound ID 3Z1e6h00rGg
InChI InChI=1S/C12H16O3/c1-7-4-10(14)15-9-6-12(2,3)5-8(13)11(7)9/h7H,4-6H2,1-3H3/t7-/m0/s1
InChIKey CBYUXLOLCWGKJY-ZETCQYMHSA-N
Mol Weight 208.26 g/mol
Molecular Formula C12H16O3
Exact Mass 208.109944 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1WsHNPbwQ7u
Name 4,7,7-TRIMETHYL-3,4,5,6,7,8-HEXAHYDROBENZOPYRANE-2(H),5-DIONE
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H16O3
InChI InChI=1S/C12H16O3/c1-7-4-10(14)15-9-6-12(2,3)5-8(13)11(7)9/h7H,4-6H2,1-3H3/t7-/m0/s1
InChIKey CBYUXLOLCWGKJY-ZETCQYMHSA-N
Literature Reference Author K.ITOH,M.HASEGAWA,J.TANAKA,S.KANEMASA
Literature Reference Citation ORG.LETTERS,7,979(2005)
Literature Reference DOI 10.1021/ol047872g
Molecular Weight 208.257 g/mol
Sample ID 42495
Solvent CDCl3