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trans-2-(3"-Benzyloxy-4"-methoxybenzyl)-3-(3',4'-dimethoxy-.alpha.,.alpha.-bis[phenylthio]benzyl)butyrolactone
SpectraBase Compound ID GZUacSUgJEi
InChI InChI=1S/C40H38O6S2/c1-42-35-22-20-30(25-37(35)44-3)40(47-31-15-9-5-10-16-31,48-32-17-11-6-12-18-32)34-27-46-39(41)33(34)23-29-19-21-36(43-2)38(24-29)45-26-28-13-7-4-8-14-28/h4-22,24-25,33-34H,23,26-27H2,1-3H3/t33-,34+/m1/s1
InChIKey YRFPBOGZSYTEMD-NOCHOARKSA-N
Mol Weight 678.9 g/mol
Molecular Formula C40H38O6S2
Exact Mass 678.210981 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7YozkCUxtEX
Name trans-2-(3"-Benzyloxy-4"-methoxybenzyl)-3-(3',4'-dimethoxy-.alpha.,.alpha.-bis[phenylthio]benzyl)butyrolactone
Alternate Name(s) trans-2-(3''-Benzyloxy-4''-methoxybenzyl)-3-(3',4'-dimethoxy-.alpha.,.alpha.-bis[phenylthio]benzyl)butyrolactone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H38O6S2
InChI InChI=1S/C40H38O6S2/c1-42-35-22-20-30(25-37(35)44-3)40(47-31-15-9-5-10-16-31,48-32-17-11-6-12-18-32)34-27-46-39(41)33(34)23-29-19-21-36(43-2)38(24-29)45-26-28-13-7-4-8-14-28/h4-22,24-25,33-34H,23,26-27H2,1-3H3/t33-,34+/m1/s1
InChIKey YRFPBOGZSYTEMD-NOCHOARKSA-N
Molecular Weight 678.858 g/mol
SMILES C([C@@]1([C@](C(=O)OC1)(Cc1cc(OCc2ccccc2)c(cc1)OC)[H])[H])(c1cc(OC)c(cc1)OC)(Sc1ccccc1)Sc1ccccc1
SPLASH splash10-0006-9200000000-5ecf463610aa63c6d91c
Source of Spectrum F-52-1329-23
Wiley ID 794861