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5-Phenyl-6,8-dioxa-3-thiabicyclo[3.2.1]octane 3,3-dioxide
SpectraBase Compound ID 1NBkmRA84wi
InChI InChI=1S/C11H12O4S/c12-16(13)7-10-6-14-11(8-16,15-10)9-4-2-1-3-5-9/h1-5,10H,6-8H2/t10-,11+/m0/s1
InChIKey DDIKQMBPRHNWSE-WDEREUQCSA-N
Mol Weight 240.27 g/mol
Molecular Formula C11H12O4S
Exact Mass 240.04563 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AKAsVkeIytx
Name 5-Phenyl-6,8-dioxa-3-thiabicyclo[3.2.1]octane 3,3-dioxide
Alternate Name(s) 5-Phenyl-6,8-dioxa-3-thiabicyclo(3,2,1)octane 3,3-dioxide
CAS Registry Number 69697-65-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12O4S
InChI InChI=1S/C11H12O4S/c12-16(13)7-10-6-14-11(8-16,15-10)9-4-2-1-3-5-9/h1-5,10H,6-8H2/t10-,11+/m0/s1
InChIKey DDIKQMBPRHNWSE-WDEREUQCSA-N
Molecular Weight 240.273 g/mol
SMILES c1ccc(cc1)[C@@]12CS(C[C@](CO2)(O1)[H])(=O)=O
SPLASH splash10-0a4i-3900000000-7fee9bfec852eddeade4
Source of Spectrum O-13-446-26
Wiley ID 1242506