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(1S,2R)-2-(5,6-dihydro-1,4-dithiin-2-yl)cyclopropyl acetate
SpectraBase Compound ID BqSg40RaBOr
InChI InChI=1S/C9H12O2S2/c1-6(10)11-8-4-7(8)9-5-12-2-3-13-9/h5,7-8H,2-4H2,1H3/t7-,8+/m1/s1
InChIKey WRGSFDVRRYJNSK-SFYZADRCSA-N
Mol Weight 216.31 g/mol
Molecular Formula C9H12O2S2
Exact Mass 216.027872 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BtsR9PYosM
Name (1S,2R)-2-(5,6-dihydro-1,4-dithiin-2-yl)cyclopropyl acetate
Appearance Brown oil
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Formula C9H12O2S2
InChI InChI=1S/C9H12O2S2/c1-6(10)11-8-4-7(8)9-5-12-2-3-13-9/h5,7-8H,2-4H2,1H3/t7-,8+/m1/s1
InChIKey WRGSFDVRRYJNSK-SFYZADRCSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1002/anie.202012664
Molecular Weight 216.313 g/mol
SMILES C=1(SCCSC1)[C@]1([C@](C1)(OC(C)=O)[H])[H]
SPLASH splash10-00r5-2930000000-4906e909982e4689c9ae
Sample Comments Major, dr = 12:1
Source of Spectrum ACI-60-SM41-47
Thin-Layer Chromatography Rf = 0.37 (EtOAc/PET ether, 10%)
Wiley ID 1880554