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4,5,5-Trimethyl-3-(phenylthio)-2(5H)-furanone
SpectraBase Compound ID 3OogwgiLQh
InChI InChI=1S/C13H14O2S/c1-9-11(12(14)15-13(9,2)3)16-10-7-5-4-6-8-10/h4-8H,1-3H3
InChIKey GTOVXIZLMGXIAN-UHFFFAOYSA-N
Mol Weight 234.31 g/mol
Molecular Formula C13H14O2S
Exact Mass 234.071451 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GceFNULjbTf
Name 4,5,5-TRIMETHYL-3-(PHENYLTHIO)-2(5H)-FURANONE
CAS Registry Number 77320-65-1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H14O2S
InChI InChI=1S/C13H14O2S/c1-9-11(12(14)15-13(9,2)3)16-10-7-5-4-6-8-10/h4-8H,1-3H3
InChIKey GTOVXIZLMGXIAN-UHFFFAOYSA-N
Literature Reference Author T.SAKAI,T.KATAYAMA,A.TAKEDA
Literature Reference Citation J.ORG.CHEM.,46,2924(1981)
Literature Reference DOI 10.1021/jo00327a017
Molecular Weight 234.313 g/mol
Solvent CDCl3
Source File Reference UNIW20568