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(S,R(ansa))-14-[2-methoxy-3-(2-naphthylmethoxy)propoxy]-2,5-dithian[9]-(2,5)pyridinophane-15-carbaldehyde
SpectraBase Compound ID wOTqunruuT
InChI InChI=1S/C28H33NO4S2/c1-31-25(17-32-16-21-9-10-22-7-3-4-8-23(22)13-21)18-33-28-26(15-30)24-14-29-27(28)20-35-12-6-2-5-11-34-19-24/h3-4,7-10,13-15,25H,2,5-6,11-12,16-20H2,1H3/t25-/m0/s1
InChIKey MMFZSAHLLWKMCP-VWLOTQADSA-N
Mol Weight 511.7 g/mol
Molecular Formula C28H33NO4S2
Exact Mass 511.185101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kjfai2PngoB
Name (S,R(ansa))-14-[2-methoxy-3-(2-naphthylmethoxy)propoxy]-2,5-dithian[9]-(2,5)pyridinophane-15-carbaldehyde
Comments Less than 3 mono-isotopic peaks
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Formula C28H33NO4S2
InChI InChI=1S/C28H33NO4S2/c1-31-25(17-32-16-21-9-10-22-7-3-4-8-23(22)13-21)18-33-28-26(15-30)24-14-29-27(28)20-35-12-6-2-5-11-34-19-24/h3-4,7-10,13-15,25H,2,5-6,11-12,16-20H2,1H3/t25-/m0/s1
InChIKey MMFZSAHLLWKMCP-VWLOTQADSA-N
Molecular Weight 511.695 g/mol
SMILES c1(c(c2ncc1CSCCCCCSC2)OC[C@@](OC)(COCc1cc2ccccc2cc1)[H])C=O
SPLASH splash10-0006-0900000000-3c8f47e838feb95206fa
Source of Spectrum F-56-4697-2
Synonyms (S,S(ansa))-14-[2-methoxy-3-(2-naphthylmethoxy)propoxy]-2,5-dithian[9]-(2,5)pyridinophane-15-carbaldehyde
Wiley ID 856717