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1H,4H-3a,8a-Methanoazulen-2(3H)-one, 9,9-dichloro-5,6-dihydro-5-[(methylsulfonyl)oxy]-, (3a.alpha.,5.beta.,8a.alpha.)-
SpectraBase Compound ID IbRClZuTaea
InChI InChI=1S/C12H14Cl2O4S/c1-19(16,17)18-9-3-2-4-10-5-8(15)6-11(10,7-9)12(10,13)14/h2,4,9H,3,5-7H2,1H3/t9-,10+,11+/m0/s1
InChIKey UXIYUUHUTSSMCJ-HBNTYKKESA-N
Mol Weight 325.21 g/mol
Molecular Formula C12H14Cl2O4S
Exact Mass 323.998986 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IOL6m7aWKDw
Name 1H,4H-3a,8a-Methanoazulen-2(3H)-one, 9,9-dichloro-5,6-dihydro-5-[(methylsulfonyl)oxy]-, (3a.alpha.,5.beta.,8a.alpha.)-
CAS Registry Number 120521-77-9
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14Cl2O4S
InChI InChI=1S/C12H14Cl2O4S/c1-19(16,17)18-9-3-2-4-10-5-8(15)6-11(10,7-9)12(10,13)14/h2,4,9H,3,5-7H2,1H3/t9-,10+,11+/m0/s1
InChIKey UXIYUUHUTSSMCJ-HBNTYKKESA-N
Molecular Weight 325.206 g/mol
SMILES [C@]123[C@](CC(C3)=O)(C=CC[C@](OS(=O)(=O)C)(C1)[H])C2(Cl)Cl
SPLASH splash10-0002-0940000000-4f6e413b2bde159e737b
Source of Spectrum B-41-1047-21
Synonyms (1S,3S,7S)-11,11-dichloro-9-oxotricyclo[5.3.1.0(1,7)]undec-5-en-3-yl methanesulfonate (3a.alpha.,5.beta.,8a.alpha.)-9.9-dichloro-5-mesyloxy-2,3,5,6-tetrahydro-1H,4H-3a,8a-methanoazulen-2-one
Wiley ID 1322819