For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
cis-anti-cis-1-methyl-4-thiatricyclo[5.4.0.0(2,6)]undecan-8-one 4,4-dioxide
SpectraBase Compound ID Q8QgfnXo3f
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-IFFSRLJSSA-N
Mol Weight 228.31 g/mol
Molecular Formula C11H16O3S
Exact Mass 228.082016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID DQbBTnwJi2z
Name cis-anti-cis-1-methyl-4-thiatricyclo[5.4.0.0(2,6)]undecan-8-one 4,4-dioxide
CAS Registry Number 99685-36-6
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-IFFSRLJSSA-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-d98a83e35211e91e31be
Source of Spectrum J-50-5819-3
Synonyms (3aS,3bR,7aR,7bS)-7a-methyloctahydrobenzo[3,4]cyclobuta[1,2-c]thiophen-4(3H)-one 2,2-dioxide
Wiley ID 1229364