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(4S,5S)-4-Hydroxymethyl-5-[4-(methylthio)phenyl]-2-(3-tolyl)-2-oxazoline
SpectraBase Compound ID 8kWNV3jkpIy
InChI InChI=1S/C18H19NO2S/c1-12-4-3-5-14(10-12)18-19-16(11-20)17(21-18)13-6-8-15(22-2)9-7-13/h3-10,16-17,20H,11H2,1-2H3/t16-,17-/m0/s1
InChIKey WLPPVCSJNXMLQB-IRXDYDNUSA-N
Mol Weight 313.42 g/mol
Molecular Formula C18H19NO2S
Exact Mass 313.11365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A0D5HLrT7uo
Name (4S,5S)-4-Hydroxymethyl-5-[4-(methylthio)phenyl]-2-(3-tolyl)-2-oxazoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H19NO2S
InChI InChI=1S/C18H19NO2S/c1-12-4-3-5-14(10-12)18-19-16(11-20)17(21-18)13-6-8-15(22-2)9-7-13/h3-10,16-17,20H,11H2,1-2H3/t16-,17-/m0/s1
InChIKey WLPPVCSJNXMLQB-IRXDYDNUSA-N
Molecular Weight 313.415 g/mol
SMILES OC[C@@]1(N=C(O[C@]1(c1ccc(cc1)SC)[H])c1cc(ccc1)C)[H]
SPLASH splash10-03xu-1901000000-a24d548216920b223828
Source of Spectrum KD-15-3295-8
Synonyms {(4S,5S)-2-(3-methylphenyl)-5-[4-(methylsulfanyl)phenyl]-4,5-dihydro-1,3-oxazol-4-yl}methanol
Wiley ID 1637247