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10-(methylthio)-1-(trichloracetyl)-13-oxa-11-thia-exo-2-endo-9-tricyclo[8.2.1.0(2,9)]tridecan-12-on
SpectraBase Compound ID 4RLSTGum62o
InChI InChI=1S/C14H17Cl3O3S2/c1-21-14-9-7-5-3-2-4-6-8(9)12(20-14,11(19)22-14)10(18)13(15,16)17/h8-9H,2-7H2,1H3
InChIKey PRPROMYZUPCBCP-UHFFFAOYSA-N
Mol Weight 403.77 g/mol
Molecular Formula C14H17Cl3O3S2
Exact Mass 401.96847 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HM2uIJX6I5p
Name 10-(methylthio)-1-(trichloracetyl)-13-oxa-11-thia-exo-2-endo-9-tricyclo[8.2.1.0(2,9)]tridecan-12-on
CAS Registry Number 102517-62-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17Cl3O3S2
InChI InChI=1S/C14H17Cl3O3S2/c1-21-14-9-7-5-3-2-4-6-8(9)12(20-14,11(19)22-14)10(18)13(15,16)17/h8-9H,2-7H2,1H3
InChIKey PRPROMYZUPCBCP-UHFFFAOYSA-N
Molecular Weight 403.766 g/mol
SMILES C12(C(SC(O2)(SC)C2C1CCCCCC2)=O)C(C(Cl)(Cl)Cl)=O
SPLASH splash10-004i-6092000000-67e9482349eebd95804c
Source of Spectrum K-119-2332-7
Synonyms 10-(methylthio)-1-(trichloracetyl)-13-oxa-11-thia-endo-2-endo-9-tricyclo[8.2.1.0(2,9)]-tridecan-12-on 10-(methylsulfanyl)-1-(trichloroacetyl)-13-oxa-11-thiatricyclo[8.2.1.0(2,9)]tridecan-12-one
Wiley ID 1370159