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2,3-cis-3-Carbomethoxymethyl-2-(1',3'-dithianyl-2')methylcyclopentan-1-one
SpectraBase Compound ID Bkak2WA7Dk5
InChI InChI=1S/C13H20O3S2/c1-16-12(15)7-9-3-4-11(14)10(9)8-13-17-5-2-6-18-13/h9-10,13H,2-8H2,1H3/t9-,10+/m1/s1
InChIKey LJVHJMSZJCRLEA-ZJUUUORDSA-N
Mol Weight 288.42 g/mol
Molecular Formula C13H20O3S2
Exact Mass 288.085387 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9SxgDDSHhwz
Name 2,3-cis-3-Carbomethoxymethyl-2-(1',3'-dithianyl-2')methylcyclopentan-1-one
CAS Registry Number 53320-22-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O3S2
InChI InChI=1S/C13H20O3S2/c1-16-12(15)7-9-3-4-11(14)10(9)8-13-17-5-2-6-18-13/h9-10,13H,2-8H2,1H3/t9-,10+/m1/s1
InChIKey LJVHJMSZJCRLEA-ZJUUUORDSA-N
Molecular Weight 288.420 g/mol
SMILES [C@]1([C@@](CC(=O)OC)(CCC1=O)[H])(CC1SCCCS1)[H]
SPLASH splash10-001i-2900000000-ca06ded42628b00fdb7c
Source of Spectrum J-40-464-0
Synonyms Methyl[(1R,2S)-2-(1,3-dithian-2-ylmethyl)-3-oxocyclopentyl]acetate
Wiley ID 1291408