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METHYL_TETRAHYDRO-4-OXO-3-(4-PENTENYL)-4-H-THIOPYRAN-3-CARBOXYLATE
SpectraBase Compound ID FH8j5NIsOy0
InChI InChI=1S/C12H18O3S/c1-3-4-5-7-12(11(14)15-2)9-16-8-6-10(12)13/h3H,1,4-9H2,2H3
InChIKey FGCLUMFOVQIESJ-UHFFFAOYSA-N
Mol Weight 242.33 g/mol
Molecular Formula C12H18O3S
Exact Mass 242.097666 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9JP4WWH6c5c
Name METHYL_TETRAHYDRO-4-OXO-3-(4-PENTENYL)-4-H-THIOPYRAN-3-CARBOXYLATE
Compound Number 2A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H18O3S
InChI InChI=1S/C12H18O3S/c1-3-4-5-7-12(11(14)15-2)9-16-8-6-10(12)13/h3H,1,4-9H2,2H3
InChIKey FGCLUMFOVQIESJ-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 242.333 g/mol
Solvent CDCl3
Source File Reference UWMZ1512