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2,7-Dithiabicyclo[2.2.1]heptane-3,6-dione, 5,5-dimethyl-1,4-diphenyl-
SpectraBase Compound ID FbbV3re69oT
InChI InChI=1S/C19H16O2S2/c1-17(2)15(20)19(14-11-7-4-8-12-14)22-16(21)18(17,23-19)13-9-5-3-6-10-13/h3-12H,1-2H3/t18-,19-/m0/s1
InChIKey HEADJGHVUHUFPK-OALUTQOASA-N
Mol Weight 340.46 g/mol
Molecular Formula C19H16O2S2
Exact Mass 340.059172 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7lp3U1Vcqc7
Name 2,7-Dithiabicyclo[2.2.1]heptane-3,6-dione, 5,5-dimethyl-1,4-diphenyl-
CAS Registry Number 100094-94-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H16O2S2
InChI InChI=1S/C19H16O2S2/c1-17(2)15(20)19(14-11-7-4-8-12-14)22-16(21)18(17,23-19)13-9-5-3-6-10-13/h3-12H,1-2H3/t18-,19-/m0/s1
InChIKey HEADJGHVUHUFPK-OALUTQOASA-N
Molecular Weight 340.455 g/mol
SMILES [C@]12(SC(=O)[C@@](S2)(c2ccccc2)C(C1=O)(C)C)c1ccccc1
SPLASH splash10-00al-3910000000-11ccbde5bde5aba35ead
Source of Spectrum K-118-3460-8
Synonyms 5,5-Dimethyl-1,4-diphenyl-2,7-dithiabicyclo[2.2.1]heptan-3,6-dion 5,5-Dimethyl-1,4-diphenyl-2,7-dithiabicyclo[2.2.1]heptane-3,6-dione
Wiley ID 1335109