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(4S,5S)-5-[4-(Methylthio)phenyl]-2-phenyl-4-phenoxymethyl-2-oxazoline
SpectraBase Compound ID 1r5QjRsOpz9
InChI InChI=1S/C23H21NO2S/c1-27-20-14-12-17(13-15-20)22-21(16-25-19-10-6-3-7-11-19)24-23(26-22)18-8-4-2-5-9-18/h2-15,21-22H,16H2,1H3/t21-,22-/m0/s1
InChIKey VALTYEURKJAWLY-VXKWHMMOSA-N
Mol Weight 375.49 g/mol
Molecular Formula C23H21NO2S
Exact Mass 375.1293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2kgLmo8wMAH
Name (4S,5S)-5-[4-(Methylthio)phenyl]-2-phenyl-4-phenoxymethyl-2-oxazoline
Alternate Name(s) (4S,5S)-5-[4-(methylsulfanyl)phenyl]-4-(phenoxymethyl)-2-phenyl-4,5-dihydro-1,3-oxazole {(4S,5S)-5-[4-(methylsulfanyl)phenyl]-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl}methyl phenyl ether
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H21NO2S
InChI InChI=1S/C23H21NO2S/c1-27-20-14-12-17(13-15-20)22-21(16-25-19-10-6-3-7-11-19)24-23(26-22)18-8-4-2-5-9-18/h2-15,21-22H,16H2,1H3/t21-,22-/m0/s1
InChIKey VALTYEURKJAWLY-VXKWHMMOSA-N
Molecular Weight 375.486 g/mol
SMILES C=1(O[C@]([C@@](N1)(COc1ccccc1)[H])(c1ccc(cc1)SC)[H])c1ccccc1
SPLASH splash10-0159-9835000000-85d84120d74fdc16b2e8
Source of Spectrum KD-15-3294-22
Wiley ID 1637234