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2(3H)-Furanone-5-d, dihydro-5-d-4-[[3-(phenylmethoxy)phenyl]bis(phen ylthio)methyl]-3-[[3-(phenylmethoxy)phenyl]methyl]-, trans-(.+-.)-
SpectraBase Compound ID LZakRra5Bim
InChI InChI=1S/C44H38O4S2/c45-43-41(28-35-19-13-21-37(27-35)46-30-33-15-5-1-6-16-33)42(32-48-43)44(49-39-23-9-3-10-24-39,50-40-25-11-4-12-26-40)36-20-14-22-38(29-36)47-31-34-17-7-2-8-18-34/h1-27,29,41-42H,28,30-32H2/i32D2
InChIKey ZYBUPTWMXWDPPN-XTJIRHDTSA-N
Mol Weight 696.9 g/mol
Molecular Formula C44H362D2O4S2
Exact Mass 696.233706 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2NBG3y1KMrC
Name 2(3H)-Furanone-5-d, dihydro-5-d-4-[[3-(phenylmethoxy)phenyl]bis(phen ylthio)methyl]-3-[[3-(phenylmethoxy)phenyl]methyl]-, trans-(.+-.)-
CAS Registry Number 96995-02-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H36D2O4S2
InChI InChI=1S/C44H38O4S2/c45-43-41(28-35-19-13-21-37(27-35)46-30-33-15-5-1-6-16-33)42(32-48-43)44(49-39-23-9-3-10-24-39,50-40-25-11-4-12-26-40)36-20-14-22-38(29-36)47-31-34-17-7-2-8-18-34/h1-27,29,41-42H,28,30-32H2/i32D2
InChIKey ZYBUPTWMXWDPPN-XTJIRHDTSA-N
Molecular Weight 696.916 g/mol
SMILES C(C1C(C(=O)OC1([2D])[2D])Cc1cc(OCc2ccccc2)ccc1)(c1cc(OCc2ccccc2)ccc1)(Sc1ccccc1)Sc1ccccc1
SPLASH splash10-0006-9001000000-7e4e342246771e035a6a
Source of Spectrum KC-1985-36-8
Synonyms (+-)-trans-[4,4-(2)H(2)]-2-(3-benzyloxybenzyl)-3-[3-benzyloxy-.alpha.,.alpha.-bis(phenylthio)benzyl]butyrolactine
Wiley ID 1414882