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4,6-Methanocyclopenta[b]pyran, 4a,6,7-trichloro-7a-ethoxyoctahydro-5,5-dimethoxy-, (4.alpha.,4a.beta.,6.beta.,7.alpha.,7a.beta.)-(.+-.)-
SpectraBase Compound ID IZglxOYquFR
InChI InChI=1S/C13H19Cl3O4/c1-4-19-12-9(14)10(15)7-8(5-6-20-12)11(12,16)13(10,17-2)18-3/h8-9H,4-7H2,1-3H3/t8-,9-,10+,11-,12+/m1/s1
InChIKey BQCUHZHMUCQPAF-ZIQFBCGOSA-N
Mol Weight 345.65 g/mol
Molecular Formula C13H19Cl3O4
Exact Mass 344.034892 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H6JRNj549di
Name 4,6-Methanocyclopenta[b]pyran, 4a,6,7-trichloro-7a-ethoxyoctahydro-5,5-dimethoxy-, (4.alpha.,4a.beta.,6.beta.,7.alpha.,7a.beta.)-(.+-.)-
CAS Registry Number 123590-71-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H19Cl3O4
InChI InChI=1S/C13H19Cl3O4/c1-4-19-12-9(14)10(15)7-8(5-6-20-12)11(12,16)13(10,17-2)18-3/h8-9H,4-7H2,1-3H3/t8-,9-,10+,11-,12+/m1/s1
InChIKey BQCUHZHMUCQPAF-ZIQFBCGOSA-N
Molecular Weight 345.650 g/mol
SMILES [C@@]12(C([C@@]3(Cl)[C@@](C2)(CCO[C@]3([C@@]1(Cl)[H])OCC)[H])(OC)OC)Cl
SPLASH splash10-0bt9-0009000000-256fca3bb76e96cc8159
Source of Spectrum F-45-1386-20
Synonyms (+-)-(1R*,5S*,7S*,10S*)-7,9,10-trichloro-1-ethoxy-2-oxatricyclo[5.2.1.0(5,9)]decan-8-one dimethylketal (1R,2S,3R,7S)-1,2,8-trichloro-3-ethoxy-9,9-dimethoxy-4-oxatricyclo[5.2.1.0(3,8)]decane
Wiley ID 1337559