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3,3-Diethoxy-1,1-bis(phenylsulfanyl)butan-2-one
SpectraBase Compound ID 5HZZpkKUonL
InChI InChI=1S/C20H24O3S2/c1-4-22-20(3,23-5-2)18(21)19(24-16-12-8-6-9-13-16)25-17-14-10-7-11-15-17/h6-15,19H,4-5H2,1-3H3
InChIKey UILCTCOZOCSQJN-UHFFFAOYSA-N
Mol Weight 376.53 g/mol
Molecular Formula C20H24O3S2
Exact Mass 376.116687 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EHnThpiIXXQ
Name 3,3-Diethoxy-1,1-bis(phenylsulfanyl)butan-2-one
Comments Computed using HOSE algorithm
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Exact Mass 376.116686978 u
Formula C20H24O3S2
InChI InChI=1S/C20H24O3S2/c1-4-22-20(3,23-5-2)18(21)19(24-16-12-8-6-9-13-16)25-17-14-10-7-11-15-17/h6-15,19H,4-5H2,1-3H3
InChIKey UILCTCOZOCSQJN-UHFFFAOYSA-N
Molecular Weight 376.529 g/mol
SMILES C(C(SC=1C=CC=CC1)SC=1C=CC=CC1)(C(OCC)(OCC)C)=O