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cis-trans-1-methyl-4-thiatricyclo[5.4.0.0(2,6)]undecan-8-one 4,4-dioxide
SpectraBase Compound ID LFbzQIJZ7s3
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/t7-,8+,10-,11+/m1/s1
InChIKey WMQWUGJMIDSKNJ-MKHNBGRSSA-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 F3Ne2UMe7Gl
Name cis-trans-1-methyl-4-thiatricyclo[5.4.0.0(2,6)]undecan-8-one 4,4-dioxide
CAS Registry Number 99685-37-7
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/t7-,8+,10-,11+/m1/s1
InChIKey WMQWUGJMIDSKNJ-MKHNBGRSSA-N
Molecular Weight 228.306 g/mol
SMILES C1S(C[C@]2([C@@]3(C(CCC[C@]3([C@@]12[H])C)=O)[H])[H])(=O)=O
SPLASH splash10-001i-9200000000-63ec8295fdb1d10f7c76
Source of Spectrum J-50-5819-4
Synonyms (3aS,3bS,7aR,7bS)-7a-methyloctahydrobenzo[3,4]cyclobuta[1,2-c]thiophen-4(3H)-one 2,2-dioxide
Wiley ID 1229363