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1-Ethoxy-2-hydroxy-5,5-bis(phenylsulfonyl)pentane

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1-Ethoxy-2-hydroxy-5,5-bis(phenylsulfonyl)pentane
SpectraBase Compound ID C2pno1Qd1W7
InChI InChI=1S/C19H24O6S2/c1-2-25-15-16(20)13-14-19(26(21,22)17-9-5-3-6-10-17)27(23,24)18-11-7-4-8-12-18/h3-12,16,19-20H,2,13-15H2,1H3
InChIKey KWCLGFGXWLORNA-UHFFFAOYSA-N
Mol Weight 412.52 g/mol
Molecular Formula C19H24O6S2
Exact Mass 412.101431 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Egf6hvLBmMy
Name 1-Ethoxy-2-hydroxy-5,5-bis(phenylsulfonyl)pentane
Comments Computed using HOSE algorithm
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Exact Mass 412.101430835 u
Formula C19H24O6S2
InChI InChI=1S/C19H24O6S2/c1-2-25-15-16(20)13-14-19(26(21,22)17-9-5-3-6-10-17)27(23,24)18-11-7-4-8-12-18/h3-12,16,19-20H,2,13-15H2,1H3
InChIKey KWCLGFGXWLORNA-UHFFFAOYSA-N
Molecular Weight 412.515 g/mol
SMILES C(S(=O)(=O)C=1C=CC=CC1)(S(=O)(=O)C=1C=CC=CC1)CCC(O)COCC