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2-(5-Acetyloxy-1-oxopentyl)-2-(methylthio)-1,3-dithiane
SpectraBase Compound ID 59QXnABdsAT
InChI InChI=1S/C12H20O3S3/c1-10(13)15-7-4-3-6-11(14)12(16-2)17-8-5-9-18-12/h3-9H2,1-2H3
InChIKey PYKBCMSUHHGZOF-UHFFFAOYSA-N
Mol Weight 308.47 g/mol
Molecular Formula C12H20O3S3
Exact Mass 308.057458 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3g0TPNkKYK1
Name 2-(5-ACETYLOXY-1-OXOPENTYL)-2-(METHYLTHIO)-1,3-DITHIANE
Compound Number 18
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H20O3S3
InChI InChI=1S/C12H20O3S3/c1-10(13)15-7-4-3-6-11(14)12(16-2)17-8-5-9-18-12/h3-9H2,1-2H3
InChIKey PYKBCMSUHHGZOF-UHFFFAOYSA-N
Literature Reference Author P.YATES,A.SEIF-EL-NASR,J.STANTON,J.J.KREPINSKY
Literature Reference Citation CAN.J.CHEM.,69,415(1991)
Literature Reference DOI 10.1139/v91-063
Molecular Weight 308.469 g/mol
Solvent CDCl3
Source File Reference UWCS15155