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2,6-Methanocyclopenta[b]thiopyran-5(2H)-one, hexahydro-, 1,1-dioxide
SpectraBase Compound ID 4EQokj9ehh9
InChI InChI=1S/C9H12O3S/c10-9-5-3-6-1-2-7(9)8(4-5)13(6,11)12/h5-8H,1-4H2/t5-,6+,7+,8+/m0/s1
InChIKey IOSOQIJQEYLWOL-LXGUWJNJSA-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 CiUE0j7hnlV
Name 2,6-Methanocyclopenta[b]thiopyran-5(2H)-one, hexahydro-, 1,1-dioxide
CAS Registry Number 83570-53-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12O3S
InChI InChI=1S/C9H12O3S/c10-9-5-3-6-1-2-7(9)8(4-5)13(6,11)12/h5-8H,1-4H2/t5-,6+,7+,8+/m0/s1
InChIKey IOSOQIJQEYLWOL-LXGUWJNJSA-N
Molecular Weight 200.252 g/mol
SMILES [C@]12(S([C@]3(C[C@](C([C@@]2(CC3)[H])=O)(C1)[H])[H])(=O)=O)[H]
SPLASH splash10-004r-9600000000-414fe365e187ceed545c
Source of Spectrum W5-1989-33844-31692
Synonyms 7-Thiaprotoadamantan-2-one, 7,7-dioxide 7-Thiatricyclo[4.3.1.0(3,8)]decan-2-one 7,7-dioxide
Wiley ID 1197243