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1,7,8,8A-TETRAHYDRO-6H-2-BENZOTHIOPYRAN-6-ONE

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1,7,8,8A-TETRAHYDRO-6H-2-BENZOTHIOPYRAN-6-ONE
SpectraBase Compound ID 1OQcj5yiiKW
InChI InChI=1S/C9H10OS/c10-9-2-1-8-6-11-4-3-7(8)5-9/h3-5,8H,1-2,6H2
InChIKey PKHQJYLDOFULFV-UHFFFAOYSA-N
Mol Weight 166.24 g/mol
Molecular Formula C9H10OS
Exact Mass 166.045236 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LiB2UFrteRS
Name 1,7,8,8A-TETRAHYDRO-6H-2-BENZOTHIOPYRAN-6-ONE
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H10OS
InChI InChI=1S/C9H10OS/c10-9-2-1-8-6-11-4-3-7(8)5-9/h3-5,8H,1-2,6H2
InChIKey PKHQJYLDOFULFV-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 166.238 g/mol
Solvent CDCl3
Source File Reference UWCP5006