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syn-(4S)-3-[(2S,3S)-3-Hydroxy-2-methyl-1-oxo-3-(1-phenylsulfanylcyclohexyl)propyl]-4-phenylmethyl-1,3-dioxazolidin-2-one
SpectraBase Compound ID 7Sjo6SiOwnG
InChI InChI=1S/C26H31NO4S/c1-19(23(28)26(15-9-4-10-16-26)32-22-13-7-3-8-14-22)24(29)27-21(18-31-25(27)30)17-20-11-5-2-6-12-20/h2-3,5-8,11-14,19,21,23,28H,4,9-10,15-18H2,1H3/t19-,21-,23-/m0/s1
InChIKey YOMAOCHUDUQELE-RRPUWOKSSA-N
Mol Weight 453.6 g/mol
Molecular Formula C26H31NO4S
Exact Mass 453.19738 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8oAGhfhNScB
Name syn-(4S)-3-[(2S,3S)-3-Hydroxy-2-methyl-1-oxo-3-(1-phenylsulfanylcyclohexyl)propyl]-4-phenylmethyl-1,3-dioxazolidin-2-one
Comments Less than 3 mono-isotopic peaks
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Formula C26H31NO4S
InChI InChI=1S/C26H31NO4S/c1-19(23(28)26(15-9-4-10-16-26)32-22-13-7-3-8-14-22)24(29)27-21(18-31-25(27)30)17-20-11-5-2-6-12-20/h2-3,5-8,11-14,19,21,23,28H,4,9-10,15-18H2,1H3/t19-,21-,23-/m0/s1
InChIKey YOMAOCHUDUQELE-RRPUWOKSSA-N
Molecular Weight 453.597 g/mol
SMILES O[C@](C1(Sc2ccccc2)CCCCC1)([C@@](C(N1C(OC[C@@]1(Cc1ccccc1)[H])=O)=O)(C)[H])[H]
SPLASH splash10-000f-9800000000-71f064c0bc6f13796dda
Source of Spectrum KC-0-2415-9
Synonyms (4S)-4-benzyl-3-{(2S,3S)-3-hydroxy-2-methyl-3-[1-(phenylsulfanyl)cyclohexyl]propanoyl}-1,3-oxazolidin-2-one
Wiley ID 784307