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(3R,4R)-3-ethyl-4-[2-(3-methyl-2-phenylsulfanyl-imidazol-4-yl)-1,3-dithian-2-yl]oxolan-2-one
SpectraBase Compound ID 2GTfEneyvBN
InChI InChI=1S/C20H24N2O2S3/c1-3-15-16(13-24-18(15)23)20(25-10-7-11-26-20)17-12-21-19(22(17)2)27-14-8-5-4-6-9-14/h4-6,8-9,12,15-16H,3,7,10-11,13H2,1-2H3/t15-,16+/m1/s1
InChIKey FZFGRFHXXBVKKT-CVEARBPZSA-N
Mol Weight 420.6 g/mol
Molecular Formula C20H24N2O2S3
Exact Mass 420.099992 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2AHv8tuaol
Name (3R,4R)-3-ethyl-4-[2-(3-methyl-2-phenylsulfanyl-imidazol-4-yl)-1,3-dithian-2-yl]oxolan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H24N2O2S3
InChI InChI=1S/C20H24N2O2S3/c1-3-15-16(13-24-18(15)23)20(25-10-7-11-26-20)17-12-21-19(22(17)2)27-14-8-5-4-6-9-14/h4-6,8-9,12,15-16H,3,7,10-11,13H2,1-2H3/t15-,16+/m1/s1
InChIKey FZFGRFHXXBVKKT-CVEARBPZSA-N
Molecular Weight 420.604 g/mol
SMILES c1(C2([C@@]3([C@](C(=O)OC3)(CC)[H])[H])SCCCS2)[n](c(Sc2ccccc2)nc1)C
SPLASH splash10-0a4i-1019400000-08f5e5d5ca4302970883
Source of Spectrum C5-2004-2907-8
Synonyms (3R,4R)-3-ethyl-4-[2-(3-methyl-2-phenylsulfanyl-imidazol-4-yl)-1,3-dithian-2-yl]tetrahydrofuran-2-one (3R,4R)-3-ethyl-4-[2-[3-methyl-2-(phenylthio)-4-imidazolyl]-1,3-dithian-2-yl]-2-oxolanone (3R,4R)-3-ethyl-4-[2-[3-methyl-2-(phenylthio)imidazol-4-yl]-1,3-dithian-2-yl]tetrahydrofuran-2-one
Wiley ID 1617592