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1,3-bis(2,5-Dihydroxyphenylsulfonyl)benzene

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1,3-bis(2,5-Dihydroxyphenylsulfonyl)benzene
SpectraBase Compound ID 8x9W41CC5td
InChI InChI=1S/C18H14O8S2/c19-11-4-6-15(21)17(8-11)27(23,24)13-2-1-3-14(10-13)28(25,26)18-9-12(20)5-7-16(18)22/h1-10,19-22H
InChIKey KYRYMBCZFFDTFC-UHFFFAOYSA-N
Mol Weight 422.42 g/mol
Molecular Formula C18H14O8S2
Exact Mass 422.01301 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CHNnPp4rbBE
Name 1,3-bis(2,5-Dihydroxyphenylsulfonyl)benzene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 422.013009751 u
Formula C18H14O8S2
InChI InChI=1S/C18H14O8S2/c19-11-4-6-15(21)17(8-11)27(23,24)13-2-1-3-14(10-13)28(25,26)18-9-12(20)5-7-16(18)22/h1-10,19-22H
InChIKey KYRYMBCZFFDTFC-UHFFFAOYSA-N
Molecular Weight 422.422 g/mol
SMILES Oc1cc(S(c2cccc(S(c3c(ccc(c3)O)O)(=O)=O)c2)(=O)=O)c(cc1)O