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2,3-(dimethylmethylenedioxy)-4-(diphenyl-methoxy)-1-(phenyl-sulfoxo)-butane (sodium acetate)
SpectraBase Compound ID FLgTdsMtKLW
InChI InChI=1S/C26H28O4S/c1-26(2)29-23(24(30-26)19-31(27)22-16-10-5-11-17-22)18-28-25(20-12-6-3-7-13-20)21-14-8-4-9-15-21/h3-17,23-25H,18-19H2,1-2H3
InChIKey BKUXNFHEGVIQTD-UHFFFAOYSA-N
Mol Weight 436.57 g/mol
Molecular Formula C26H28O4S
Exact Mass 436.170831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BAotsfisvZ7
Name 2,3-(dimethylmethylenedioxy)-4-(diphenyl-methoxy)-1-(phenyl-sulfoxo)-butane (sodium acetate)
CAS Registry Number 129097-72-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H28O4S
InChI InChI=1S/C26H28O4S/c1-26(2)29-23(24(30-26)19-31(27)22-16-10-5-11-17-22)18-28-25(20-12-6-3-7-13-20)21-14-8-4-9-15-21/h3-17,23-25H,18-19H2,1-2H3
InChIKey BKUXNFHEGVIQTD-UHFFFAOYSA-N
Molecular Weight 436.566 g/mol
SMILES C1(OC(C)(C)OC1COC(c1ccccc1)c1ccccc1)CS(=O)c1ccccc1
SPLASH splash10-00xr-0600900000-e3abc09d7cc9707aab4f
Source of Spectrum F-46-257-10
Synonyms 4-[(benzhydryloxy)methyl]-2,2-dimethyl-5-[(phenylsulfinyl)methyl]-1,3-dioxolane {5-[(benzhydryloxy)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl}methyl phenyl sulfoxide
Wiley ID 1383595