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2,6-Methanocyclopenta[b]thiopyran, hexahydro-, 1,1-dioxide
SpectraBase Compound ID GbBJ9LOj6Rm
InChI InChI=1S/C9H14O2S/c10-12(11)8-4-6-1-2-9(12)7(3-6)5-8/h6-9H,1-5H2/t6-,7+,8-,9+/m1/s1
InChIKey FBOJIZGXFUBQPT-XAVMHZPKSA-N
Mol Weight 186.27 g/mol
Molecular Formula C9H14O2S
Exact Mass 186.071451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 27Cq9QtHzk
Name 2,6-Methanocyclopenta[b]thiopyran, hexahydro-, 1,1-dioxide
Alternate Name(s) 7-Thiaprotoadamantan 7,7-Dioxide 7-Thiaprotoadamantane 7,7-dioxide
CAS Registry Number 83570-55-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14O2S
InChI InChI=1S/C9H14O2S/c10-12(11)8-4-6-1-2-9(12)7(3-6)5-8/h6-9H,1-5H2/t6-,7+,8-,9+/m1/s1
InChIKey FBOJIZGXFUBQPT-XAVMHZPKSA-N
Molecular Weight 186.269 g/mol
SMILES C1[C@@]2(S([C@]3(C[C@@]2(C[C@@](C1)(C3)[H])[H])[H])(=O)=O)[H]
SPLASH splash10-00uu-9100000000-a8b5d2fa0df72b46863f
Source of Spectrum W5-1989-33845-31691
Wiley ID 1182468