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1,5,6,7,8,8A-HEXAHYDRO-3H-2-BENZOTHIOPYRAN-3-ONE

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1,5,6,7,8,8A-HEXAHYDRO-3H-2-BENZOTHIOPYRAN-3-ONE
SpectraBase Compound ID 4rf35lzFLfc
InChI InChI=1S/C9H12OS/c10-9-5-7-3-1-2-4-8(7)6-11-9/h5,8H,1-4,6H2
InChIKey JUQKSMMBZITIDW-UHFFFAOYSA-N
Mol Weight 168.25 g/mol
Molecular Formula C9H12OS
Exact Mass 168.060886 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DR3Q7QF0p7g
Name 1,5,6,7,8,8A-HEXAHYDRO-3H-2-BENZOTHIOPYRAN-3-ONE
Compound Number 6A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H12OS
InChI InChI=1S/C9H12OS/c10-9-5-7-3-1-2-4-8(7)6-11-9/h5,8H,1-4,6H2
InChIKey JUQKSMMBZITIDW-UHFFFAOYSA-N
Literature Reference Author D.E.WARD,Y.GAI
Literature Reference Citation CAN.J.CHEM.,75,681(1997)
Literature Reference DOI 10.1139/v97-082
Molecular Weight 168.254 g/mol
Solvent CDCl3
Source File Reference UWCP5004