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METHYL_2-(5-HEXENYL)-TETRAHYDRO-4-OXO-4-H-THIOPYRAN-3-CARBOXYLATE;KETO-FORM
SpectraBase Compound ID HNLTg1oyzkx
InChI InChI=1S/C13H20O3S/c1-3-4-5-6-7-11-12(13(15)16-2)10(14)8-9-17-11/h3,11-12H,1,4-9H2,2H3
InChIKey JZCFQNKPDFDSQU-UHFFFAOYSA-N
Mol Weight 256.36 g/mol
Molecular Formula C13H20O3S
Exact Mass 256.113316 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hsun6gsAGYo
Name METHYL_2-(5-HEXENYL)-TETRAHYDRO-4-OXO-4-H-THIOPYRAN-3-CARBOXYLATE;KETO-FORM
Compound Number 9B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H20O3S
InChI InChI=1S/C13H20O3S/c1-3-4-5-6-7-11-12(13(15)16-2)10(14)8-9-17-11/h3,11-12H,1,4-9H2,2H3
InChIKey JZCFQNKPDFDSQU-UHFFFAOYSA-N
Literature Reference Author D.E.WARD,T.E.NIXEY,Y.GAI,M.J.HRAPCHAK,M.S.ABAEE
Literature Reference Citation CAN.J.CHEM.,74,1418(1996)
Literature Reference DOI 10.1139/v96-160
Molecular Weight 256.360 g/mol
Solvent CDCl3
Source File Reference UWMZ1522