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trans-2-(4"-Benzyloxybenzyl)-3-(3',4'-dimethoxy-.alpha.,.alpha.-bis[phenylthio]benzyl)butyrolactone
SpectraBase Compound ID 8SmjwPHT0eW
InChI InChI=1S/C39H36O5S2/c1-41-36-23-20-30(25-37(36)42-2)39(45-32-14-8-4-9-15-32,46-33-16-10-5-11-17-33)35-27-44-38(40)34(35)24-28-18-21-31(22-19-28)43-26-29-12-6-3-7-13-29/h3-23,25,34-35H,24,26-27H2,1-2H3/t34-,35+/m1/s1
InChIKey MDDWPRVXSBVSHW-GPOMZPHUSA-N
Mol Weight 648.8 g/mol
Molecular Formula C39H36O5S2
Exact Mass 648.200417 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JWAvWAcPMcv
Name trans-2-(4"-Benzyloxybenzyl)-3-(3',4'-dimethoxy-.alpha.,.alpha.-bis[phenylthio]benzyl)butyrolactone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C39H36O5S2
InChI InChI=1S/C39H36O5S2/c1-41-36-23-20-30(25-37(36)42-2)39(45-32-14-8-4-9-15-32,46-33-16-10-5-11-17-33)35-27-44-38(40)34(35)24-28-18-21-31(22-19-28)43-26-29-12-6-3-7-13-29/h3-23,25,34-35H,24,26-27H2,1-2H3/t34-,35+/m1/s1
InChIKey MDDWPRVXSBVSHW-GPOMZPHUSA-N
Molecular Weight 648.832 g/mol
SMILES C([C@@]1([C@](C(=O)OC1)(Cc1ccc(OCc2ccccc2)cc1)[H])[H])(c1cc(OC)c(cc1)OC)(Sc1ccccc1)Sc1ccccc1
SPLASH splash10-0006-9100000000-44de137219e0b8656e4b
Source of Spectrum F-52-1328-21
Synonyms (3R,4R)-3-[4-(benzyloxy)benzyl]-4-{(3,4-dimethoxyphenyl)[bis(phenylsulfanyl)]methyl}dihydro-2(3H)-furanone trans-2-(4''-Benzyloxybenzyl)-3-(3',4'-dimethoxy-.alpha.,.alpha.-bis[phenylthio]benzyl)butyrolactone
Wiley ID 794863