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(4S,5S)-4-Hydroxymethyl-2-(2-hydroxyphenyl)-5-[4-(methylthio)phenyl]-2-oxazoline
SpectraBase Compound ID LEuT2TKeGBg
InChI InChI=1S/C17H17NO3S/c1-22-12-8-6-11(7-9-12)16-14(10-19)18-17(21-16)13-4-2-3-5-15(13)20/h2-9,14,16,19-20H,10H2,1H3/t14-,16-/m0/s1
InChIKey LPBZODVIKAXLAK-HOCLYGCPSA-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 HvTOJKpk6Xo
Name (4S,5S)-4-Hydroxymethyl-2-(2-hydroxyphenyl)-5-[4-(methylthio)phenyl]-2-oxazoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17NO3S
InChI InChI=1S/C17H17NO3S/c1-22-12-8-6-11(7-9-12)16-14(10-19)18-17(21-16)13-4-2-3-5-15(13)20/h2-9,14,16,19-20H,10H2,1H3/t14-,16-/m0/s1
InChIKey LPBZODVIKAXLAK-HOCLYGCPSA-N
Molecular Weight 315.387 g/mol
SMILES OC[C@]1([C@@](OC(c2c(cccc2)O)=N1)(c1ccc(cc1)SC)[H])[H]
SPLASH splash10-01b9-0901000000-3c8a76300abca47ebb00
Source of Spectrum KD-15-3292-7
Synonyms 2-{(4S,5S)-4-(hydroxymethyl)-5-[4-(methylsulfanyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl}phenol
Wiley ID 1637248