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1,4-dibenzylepidithiopiperazine-2,5-dione
SpectraBase Compound ID 1e9HyTCx0E0
InChI InChI=1S/C18H16N2O2S2/c21-15-18-20(12-14-9-5-2-6-10-14)16(22)17(23-24-18)19(15)11-13-7-3-1-4-8-13/h1-10,17-18H,11-12H2
InChIKey FXPKLEMHXHHIDS-UHFFFAOYSA-N
Mol Weight 356.46 g/mol
Molecular Formula C18H16N2O2S2
Exact Mass 356.06532 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7FhtPmB2JCm
Name 1,4-dibenzylepidithiopiperazine-2,5-dione
Comments Less than 3 mono-isotopic peaks
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Formula C18H16N2O2S2
InChI InChI=1S/C18H16N2O2S2/c21-15-18-20(12-14-9-5-2-6-10-14)16(22)17(23-24-18)19(15)11-13-7-3-1-4-8-13/h1-10,17-18H,11-12H2
InChIKey FXPKLEMHXHHIDS-UHFFFAOYSA-N
Molecular Weight 356.458 g/mol
SMILES C12N(C(C(N(C2=O)Cc2ccccc2)SS1)=O)Cc1ccccc1
SPLASH splash10-0006-9000000000-f9e3e932840a48cb4e0f
Source of Spectrum B-46-1743-0
Synonyms 5,7-dibenzyl-2,3-dithia-5,7-diazabicyclo[2.2.2]octane-6,8-dione 6,8-dibenzyl-2,3-dithia-6,8-diazabicyclo[2.2.2]octane-5,7-dione 6,8-bis(phenylmethyl)-2,3-dithia-6,8-diazabicyclo[2.2.2]octane-5,7-dione
Wiley ID 1345649