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2-[(2R,3S,4R)-2-(2-phenylethynyl)-3,4-bis(phenylmethoxy)-2-oxolanyl]ethanethioic acid S-tert-butyl ester
SpectraBase Compound ID K7V6u1OfDFZ
InChI InChI=1S/C32H34O4S/c1-31(2,3)37-29(33)21-32(20-19-25-13-7-4-8-14-25)30(35-23-27-17-11-6-12-18-27)28(24-36-32)34-22-26-15-9-5-10-16-26/h4-18,28,30H,21-24H2,1-3H3/t28-,30+,32+/m1/s1
InChIKey YIIHJPILKYIBIL-YUJJRVTMSA-N
Mol Weight 514.7 g/mol
Molecular Formula C32H34O4S
Exact Mass 514.217781 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 599ekTiliJL
Name 2-[(2R,3S,4R)-2-(2-phenylethynyl)-3,4-bis(phenylmethoxy)-2-oxolanyl]ethanethioic acid S-tert-butyl ester
Alternate Name(s) 2-[(2R,3S,4R)-3,4-dibenzoxy-2-(2-phenylethynyl)tetrahydrofuran-2-yl]ethanethioic acid S-tert-butyl ester S-tert-butyl 2-[(2R,3S,4R)-2-(2-phenylethynyl)-3,4-bis(phenylmethoxy)oxolan-2-yl]ethanethioate S-tert-butyl 2-[(2R,3S,4R)-3,4-dibenzyloxy-2-(2-phenylethynyl)tetrahydrofuran-2-yl]ethanethioate
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Formula C32H34O4S
InChI InChI=1S/C32H34O4S/c1-31(2,3)37-29(33)21-32(20-19-25-13-7-4-8-14-25)30(35-23-27-17-11-6-12-18-27)28(24-36-32)34-22-26-15-9-5-10-16-26/h4-18,28,30H,21-24H2,1-3H3/t28-,30+,32+/m1/s1
InChIKey YIIHJPILKYIBIL-YUJJRVTMSA-N
Molecular Weight 514.680 g/mol
SMILES [C@]1(C#Cc2ccccc2)([C@@](OCc2ccccc2)([C@](OCc2ccccc2)(CO1)[H])[H])CC(SC(C)(C)C)=O
SPLASH splash10-0a4l-9104100000-fa5cb14da938fbc08e34
Source of Spectrum J-62-8102-34
Wiley ID 1401187