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exo-6-methyl-1-(methylthio)endo-5-propoxy-4-(trichloracetyl)-7-oxa-2-thiabicyclo-[2.2.1]heptan-3-on
SpectraBase Compound ID 8gb3DVGKqgx
InChI InChI=1S/C12H15Cl3O4S2/c1-4-5-18-7-6(2)12(20-3)19-10(7,9(17)21-12)8(16)11(13,14)15/h6-7H,4-5H2,1-3H3
InChIKey KXRPGTSWCQKKKT-UHFFFAOYSA-N
Mol Weight 393.73 g/mol
Molecular Formula C12H15Cl3O4S2
Exact Mass 391.947734 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DNcVjfdVo4a
Name exo-6-methyl-1-(methylthio)endo-5-propoxy-4-(trichloracetyl)-7-oxa-2-thiabicyclo-[2.2.1]heptan-3-on
CAS Registry Number 102517-64-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15Cl3O4S2
InChI InChI=1S/C12H15Cl3O4S2/c1-4-5-18-7-6(2)12(20-3)19-10(7,9(17)21-12)8(16)11(13,14)15/h6-7H,4-5H2,1-3H3
InChIKey KXRPGTSWCQKKKT-UHFFFAOYSA-N
Molecular Weight 393.727 g/mol
SMILES C12(C(SC(O2)(SC)C(C1OCCC)C)=O)C(C(Cl)(Cl)Cl)=O
SPLASH splash10-002r-9300000000-b2c8a42f0e52dc5789bd
Source of Spectrum K-119-2334-12
Synonyms endo-6-methyl-(methylthio)-endo-5-propoxy-4-(trichloracetyl)-7-oxa-2-thiabicyclo-[2.2.1]heptan-3-on 6-Methyl-1-(methylsulfanyl)-5-propoxy-4-(2,2,2-trichloroacetyl)-7-oxa-2-thiabicyclo[2.2.1]heptan-3-one
Wiley ID 1365532