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Acetic acid, 5-acetoxy-3-benzyloxy-2-[bis(ethylthio)methyl]tetrahydropyran-4-yl ester
SpectraBase Compound ID FMGptGL2aBt
InChI InChI=1S/C21H30O6S2/c1-5-28-21(29-6-2)20-19(24-12-16-10-8-7-9-11-16)18(27-15(4)23)17(13-25-20)26-14(3)22/h7-11,17-21H,5-6,12-13H2,1-4H3/t17-,18-,19-,20-/m1/s1
InChIKey LTQANBRHJSXOAR-UAFMIMERSA-N
Mol Weight 442.59 g/mol
Molecular Formula C21H30O6S2
Exact Mass 442.148381 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JBgEvE09yXy
Name Acetic acid, 5-acetoxy-3-benzyloxy-2-[bis(ethylthio)methyl]tetrahydropyran-4-yl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30O6S2
InChI InChI=1S/C21H30O6S2/c1-5-28-21(29-6-2)20-19(24-12-16-10-8-7-9-11-16)18(27-15(4)23)17(13-25-20)26-14(3)22/h7-11,17-21H,5-6,12-13H2,1-4H3/t17-,18-,19-,20-/m1/s1
InChIKey LTQANBRHJSXOAR-UAFMIMERSA-N
Molecular Weight 442.585 g/mol
SMILES CC(O[C@@]1([C@@](CO[C@]([C@@]1(OCc1ccccc1)[H])(C(SCC)SCC)[H])(OC(=O)C)[H])[H])=O
SPLASH splash10-000f-9600000000-84f7ff82529597199313
Synonyms Acetic acid [4-acetyloxy-6-[bis(ethylthio)methyl]-5-phenylmethoxy-3-oxanyl] ester [4-acetyloxy-6-[bis(ethylsulfanyl)methyl]-5-phenylmethoxyoxan-3-yl] acetate [4-acetoxy-5-benzyloxy-6-[bis(ethylsulfanyl)methyl]tetrahydropyran-3-yl] acetate [4-acetyloxy-6-[bis(ethylsulfanyl)methyl]-5-phenylmethoxy-oxan-3-yl] ethanoate
Wiley ID 1489988