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tert-Butyl 3-{1-Hydroxy-8-methoxy-3-[(2-methyl-1,3-dithiolan-2-yl)-methyl]naphthalen-2-yl}-3-oxopropionate
SpectraBase Compound ID LqAwCXRuEIE
InChI InChI=1S/C23H28O5S2/c1-22(2,3)28-18(25)12-16(24)19-15(13-23(4)29-9-10-30-23)11-14-7-6-8-17(27-5)20(14)21(19)26/h6-8,11,26H,9-10,12-13H2,1-5H3
InChIKey RZJCBOIHPHDQMG-UHFFFAOYSA-N
Mol Weight 448.59 g/mol
Molecular Formula C23H28O5S2
Exact Mass 448.137816 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 89uW4MLZwFg
Name tert-Butyl 3-{1-Hydroxy-8-methoxy-3-[(2-methyl-1,3-dithiolan-2-yl)-methyl]naphthalen-2-yl}-3-oxopropionate
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Formula C23H28O5S2
InChI InChI=1S/C23H28O5S2/c1-22(2,3)28-18(25)12-16(24)19-15(13-23(4)29-9-10-30-23)11-14-7-6-8-17(27-5)20(14)21(19)26/h6-8,11,26H,9-10,12-13H2,1-5H3
InChIKey RZJCBOIHPHDQMG-UHFFFAOYSA-N
Molecular Weight 448.592 g/mol
SMILES Oc1c(C(CC(OC(C)(C)C)=O)=O)c(cc2cccc(c12)OC)CC1(SCCS1)C
SPLASH splash10-0aor-9682200000-42317f7792b54b97184a
Source of Spectrum U1-2010-3087-22
Synonyms 3-[1-hydroxy-8-methoxy-3-[(2-methyl-1,3-dithiolan-2-yl)methyl]-2-naphthalenyl]-3-oxopropanoic acid tert-butyl ester tert-Butyl 3-[1-hydroxy-8-methoxy-3-[(2-methyl-1,3-dithiolan-2-yl)methyl]naphthalen-2-yl]-3-oxopropanoate tert-Butyl 3-[1-hydroxy-8-methoxy-3-[(2-methyl-1,3-dithiolan-2-yl)methyl]-2-naphthyl]-3-oxo-propanoate tert-Butyl 3-[8-methoxy-3-[(2-methyl-1,3-dithiolan-2-yl)methyl]-1-oxidanyl-naphthalen-2-yl]-3-oxidanylidene-propanoate
Wiley ID 1663828