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1-(4-Methoxyphenyl)-2-[[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]disulfanyl]ethanone
SpectraBase Compound ID htnET25Okm
InChI InChI=1S/C18H18O4S2/c1-21-15-7-3-13(4-8-15)17(19)11-23-24-12-18(20)14-5-9-16(22-2)10-6-14/h3-10H,11-12H2,1-2H3
InChIKey ICBVOGGWNFDPTB-UHFFFAOYSA-N
Mol Weight 362.46 g/mol
Molecular Formula C18H18O4S2
Exact Mass 362.064651 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8MH0mfDb0BY
Name 1-(4-Methoxyphenyl)-2-[[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]disulfanyl]ethanone
Comments Computed using HOSE algorithm
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Exact Mass 362.064651404 u
Formula C18H18O4S2
InChI InChI=1S/C18H18O4S2/c1-21-15-7-3-13(4-8-15)17(19)11-23-24-12-18(20)14-5-9-16(22-2)10-6-14/h3-10H,11-12H2,1-2H3
InChIKey ICBVOGGWNFDPTB-UHFFFAOYSA-N
Molecular Weight 362.458 g/mol
SMILES C(SSCC(=O)C=1C=CC(=CC1)OC)C(=O)C=1C=CC(=CC1)OC