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(4S,5S,Rs)-4-Hydroxymethyl-5-phenyl-2-[2-(methylsulfanyl)phenyl]-4,5-dihydro-1,3-oxazole
SpectraBase Compound ID AzmpadjzuCM
InChI InChI=1S/C17H17NO3S/c1-22(20)15-10-6-5-9-13(15)17-18-14(11-19)16(21-17)12-7-3-2-4-8-12/h2-10,14,16,19H,11H2,1H3/t14-,16-,22?/m0/s1
InChIKey GQLDXQUAFBEHDA-CGWHSKKNSA-N
Mol Weight 315.39 g/mol
Molecular Formula C17H17NO3S
Exact Mass 315.092915 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7DWekIwtSK3
Name (4S,5S,Rs)-4-Hydroxymethyl-5-phenyl-2-[2-(methylsulfanyl)phenyl]-4,5-dihydro-1,3-oxazole
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Formula C17H17NO3S
InChI InChI=1S/C17H17NO3S/c1-22(20)15-10-6-5-9-13(15)17-18-14(11-19)16(21-17)12-7-3-2-4-8-12/h2-10,14,16,19H,11H2,1H3/t14-,16-,22?/m0/s1
InChIKey GQLDXQUAFBEHDA-CGWHSKKNSA-N
Molecular Weight 315.387 g/mol
SMILES OC[C@@]1(N=C(O[C@]1(c1ccccc1)[H])c1c([S@@](=O)C)cccc1)[H]
SPLASH splash10-014i-0910000000-397eed98822234e30b6c
Source of Spectrum KC-0-340-27
Synonyms (4S,5S,Rs/Ss)-4-Hydroxymethyl-5-phenyl-2-[2-(methylsulfanyl)phenyl]-4,5-dihydro-1,3-oxazole (4S,5S,Ss)-4-Hydroxymethyl-5-phenyl-2-[2-(methylsulfanyl)phenyl]-4,5-dihydro-1,3-oxazole {(4S,5S)-2-[2-(methylsulfinyl)phenyl]-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl}methanol
Wiley ID 785088