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(2S,3R)-2-benzoxy-3-[tert-butyl(dimethyl)silyl]oxy-6-methyl-hept-4-ynethioic acid S-tert-butyl ester
SpectraBase Compound ID 74ocQAeoGqr
InChI InChI=1S/C25H40O3SSi/c1-19(2)16-17-21(28-30(9,10)25(6,7)8)22(23(26)29-24(3,4)5)27-18-20-14-12-11-13-15-20/h11-15,19,21-22H,18H2,1-10H3/t21-,22+/m1/s1
InChIKey NCNVXILKXJVYOV-YADHBBJMSA-N
Mol Weight 448.7 g/mol
Molecular Formula C25H40O3SSi
Exact Mass 448.246743 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KnM5qAvunJB
Name (2S,3R)-2-benzoxy-3-[tert-butyl(dimethyl)silyl]oxy-6-methyl-hept-4-ynethioic acid S-tert-butyl ester
Alternate Name(s) (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-methyl-2-phenylmethoxy-4-heptynethioic acid S-tert-butyl ester S-tert-butyl (2S,3R)-2-benzyloxy-3-[tert-butyl(dimethyl)silyl]oxy-6-methyl-hept-4-ynethioate S-tert-butyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-methyl-2-phenylmethoxy-hept-4-ynethioate
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Formula C25H40O3SSi
InChI InChI=1S/C25H40O3SSi/c1-19(2)16-17-21(28-30(9,10)25(6,7)8)22(23(26)29-24(3,4)5)27-18-20-14-12-11-13-15-20/h11-15,19,21-22H,18H2,1-10H3/t21-,22+/m1/s1
InChIKey NCNVXILKXJVYOV-YADHBBJMSA-N
Molecular Weight 448.737 g/mol
SMILES C([C@]([C@@](C#CC(C)C)(O[Si](C(C)(C)C)(C)C)[H])(OCc1ccccc1)[H])(SC(C)(C)C)=O
SPLASH splash10-06rx-9342000000-7852f74d857aa4555525
Source of Spectrum J-60-5917-43
Wiley ID 1387189