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4a,5,6,7,8,8a-Hexahydro-4a-hydroxy-4-methyl-2H-1-benzopyran-2-one
SpectraBase Compound ID LBqWShGkfD7
InChI InChI=1S/C10H14O3/c1-7-6-9(11)13-8-4-2-3-5-10(7,8)12/h6,8,12H,2-5H2,1H3
InChIKey KXGKTGNCCBKTSP-UHFFFAOYSA-N
Mol Weight 182.22 g/mol
Molecular Formula C10H14O3
Exact Mass 182.094294 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ECrWph8nazh
Name 4a,5,6,7,8,8a-Hexahydro-4a-hydroxy-4-methyl-2H-1-benzopyran-2-one
CAS Registry Number 71055-56-6
Comments OH & LACTON-O: TRANS
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C10H14O3
InChI InChI=1S/C10H14O3/c1-7-6-9(11)13-8-4-2-3-5-10(7,8)12/h6,8,12H,2-5H2,1H3
InChIKey KXGKTGNCCBKTSP-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Literature Reference N. Bensel, J. Hoehn, H. Marschall, Chem. Ber. 112, 2256 (1979).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3