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3,4-DIHYDRO-3-(3-OXOBUTYL)-4H-THIOPYRAN-4-ONE

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3,4-DIHYDRO-3-(3-OXOBUTYL)-4H-THIOPYRAN-4-ONE
SpectraBase Compound ID GvbbKPg55YD
InChI InChI=1S/C9H12O2S/c1-7(10)2-3-8-6-12-5-4-9(8)11/h4-5,8H,2-3,6H2,1H3
InChIKey NPEPTTBYULFGGA-UHFFFAOYSA-N
Mol Weight 184.25 g/mol
Molecular Formula C9H12O2S
Exact Mass 184.055801 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID QTXxDAm4NV
Name 3,4-DIHYDRO-3-(3-OXOBUTYL)-4H-THIOPYRAN-4-ONE
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H12O2S
InChI InChI=1S/C9H12O2S/c1-7(10)2-3-8-6-12-5-4-9(8)11/h4-5,8H,2-3,6H2,1H3
InChIKey NPEPTTBYULFGGA-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 184.253 g/mol
Solvent CDCl3
Source File Reference UWCP5005