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4H-Cyclopenta[3,4]cyclobuta[1,2-c]thiophen-4-one, octahydro-, 2,2-dioxide, (3a.alpha.,3b.beta.,6a.beta.,6b.alpha.)-(.+-.)-
SpectraBase Compound ID 4zOCxKE2fAW
InChI InChI=1S/C9H12O3S/c10-8-2-1-5-6-3-13(11,12)4-7(6)9(5)8/h5-7,9H,1-4H2/t5-,6-,7-,9-/m0/s1
InChIKey KSOUQKOGAQJQTE-AZRUVXNYSA-N
Mol Weight 200.25 g/mol
Molecular Formula C9H12O3S
Exact Mass 200.050715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ECPPipRz3bt
Name 4H-Cyclopenta[3,4]cyclobuta[1,2-c]thiophen-4-one, octahydro-, 2,2-dioxide, (3a.alpha.,3b.beta.,6a.beta.,6b.alpha.)-(.+-.)-
Alternate Name(s) (3aR,3bS,6aR,6bS)octahydro-4H-cyclopenta[3,4]cyclobuta[1,2-c]thiophen-4-one 2,2-dioxide 4-Triatricyclo[5.3.0.0(2,6)]decan-8-one 4,4-dioxide
CAS Registry Number 99655-44-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12O3S
InChI InChI=1S/C9H12O3S/c10-8-2-1-5-6-3-13(11,12)4-7(6)9(5)8/h5-7,9H,1-4H2/t5-,6-,7-,9-/m0/s1
InChIKey KSOUQKOGAQJQTE-AZRUVXNYSA-N
Molecular Weight 200.252 g/mol
SMILES C1S(C[C@@]2([C@]3(C(CC[C@]3([C@]12[H])[H])=O)[H])[H])(=O)=O
SPLASH splash10-005c-9200000000-8bbcc29f9b39d44f0000
Source of Spectrum J-50-5819-9
Wiley ID 1197246