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1-Methyl-4-thiatricyclo[5.4.0.0(2,6)]undecan-8-one 4,4-dioxide
SpectraBase Compound ID FYFTGwwmHU0
InChI InChI=1S/C11H16O3S/c1-11-4-2-3-9(12)10(11)7-5-15(13,14)6-8(7)11/h7-8,10H,2-6H2,1H3
InChIKey WMQWUGJMIDSKNJ-UHFFFAOYSA-N
Mol Weight 228.31 g/mol
Molecular Formula C11H16O3S
Exact Mass 228.082016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5BArDgfyrlj
Name 1-Methyl-4-thiatricyclo[5.4.0.0(2,6)]undecan-8-one 4,4-dioxide
CAS Registry Number 99655-42-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O3S
InChI InChI=1S/C11H16O3S/c1-11-4-2-3-9(12)10(11)7-5-15(13,14)6-8(7)11/h7-8,10H,2-6H2,1H3
InChIKey WMQWUGJMIDSKNJ-UHFFFAOYSA-N
Molecular Weight 228.306 g/mol
SMILES C1S(CC2C3C(CCCC3(C12)C)=O)(=O)=O
SPLASH splash10-01q9-9600000000-4c4a782d3d088e2c573d
Source of Spectrum J-50-5819-4
Synonyms 7a-methyloctahydrobenzo[3,4]cyclobuta[1,2-c]thiophen-4(3H)-one 2,2-dioxide
Wiley ID 1229365