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(1R*,4R*,5S*)-4-(Methoxycarbonyl)-4-mehyl-1-[(phenylthio)methyl]-8-oxabicyclo[3.2.1]octan-3-one,Ethylene Acetal
SpectraBase Compound ID Ibr6OMp3eV1
InChI InChI=1S/C19H24O5S/c1-17(16(20)21-2)15-8-9-18(24-15,12-19(17)22-10-11-23-19)13-25-14-6-4-3-5-7-14/h3-7,15H,8-13H2,1-2H3/t15-,17-,18+/m0/s1
InChIKey RHCVTCRWBPPODM-RYQLBKOJSA-N
Mol Weight 364.46 g/mol
Molecular Formula C19H24O5S
Exact Mass 364.134445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Am4GsPgYrF6
Name (1R*,4R*,5S*)-4-(Methoxycarbonyl)-4-mehyl-1-[(phenylthio)methyl]-8-oxabicyclo[3.2.1]octan-3-one,Ethylene Acetal
Comments Less than 3 mono-isotopic peaks
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Formula C19H24O5S
InChI InChI=1S/C19H24O5S/c1-17(16(20)21-2)15-8-9-18(24-15,12-19(17)22-10-11-23-19)13-25-14-6-4-3-5-7-14/h3-7,15H,8-13H2,1-2H3/t15-,17-,18+/m0/s1
InChIKey RHCVTCRWBPPODM-RYQLBKOJSA-N
Molecular Weight 364.456 g/mol
SMILES C12([C@@]([C@@]3(CC[C@@](O3)(C1)CSc1ccccc1)[H])(C(=O)OC)C)OCCO2
SPLASH splash10-0006-0093000000-fd7eb5dfb5720bc71032
Source of Spectrum J-60-8391-11
Synonyms methyl (1R,4R,5S)-4-methyl-1-[(phenylsulfanyl)methyl]-8-oxaspiro[bicyclo[3.2.1]octane-3,2'-[1,3]dioxolane]-4-carboxylate
Wiley ID 1350698