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2,6-exo-8,12-endo-4-Phenylmethylene-3,5,9-trithiatetracyclo[5.5.1.0(2,6).0(8.12)]tridecane 9,9-dioxide

View entire compound with spectra: 1 MS (GC)

2,6-exo-8,12-endo-4-Phenylmethylene-3,5,9-trithiatetracyclo[5.5.1.0(2,6).0(8.12)]tridecane 9,9-dioxide
SpectraBase Compound ID 7KNIlZuQMsI
InChI InChI=1S/C17H18O2S3/c18-22(19)7-6-11-12-9-13(17(11)22)16-15(12)20-14(21-16)8-10-4-2-1-3-5-10/h1-5,8,11-13,15-17H,6-7,9H2/b14-8-/t11?,12-,13-,15-,16+,17-/m1/s1
InChIKey SZBHOSAIIQQHRW-QXWQGXCZSA-N
Mol Weight 350.51 g/mol
Molecular Formula C17H18O2S3
Exact Mass 350.046893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A6eyDanyx1y
Name 2,6-exo-8,12-endo-4-Phenylmethylene-3,5,9-trithiatetracyclo[5.5.1.0(2,6).0(8.12)]tridecane 9,9-dioxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18O2S3
InChI InChI=1S/C17H18O2S3/c18-22(19)7-6-11-12-9-13(17(11)22)16-15(12)20-14(21-16)8-10-4-2-1-3-5-10/h1-5,8,11-13,15-17H,6-7,9H2/b14-8-/t11?,12-,13-,15-,16+,17-/m1/s1
InChIKey SZBHOSAIIQQHRW-QXWQGXCZSA-N
Molecular Weight 350.509 g/mol
SMILES [C@]12(S(CCC1[C@@]1([C@]3(S\C(S[C@]3([C@]2(C1)[H])[H])=C/c1ccccc1)[H])[H])(=O)=O)[H]
SPLASH splash10-0ue9-0609000000-c9eb27e8add90cc12f42
Source of Spectrum F-53-2268-21
Synonyms (4Z)-4-benzylidene-3,5,9-trithiatetracyclo[5.5.1.0(2,6).0(8,12)]tridecane 9,9-dioxide
Wiley ID 800585