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(4S,5S,Ss)-4-Hydroxymethyl-2-[2-(4-methylphenylsulfanyl)phenyl]-5-phenyl-4,5-dihydro-1,3-oxazole
SpectraBase Compound ID 7Tpi66nhmAg
InChI InChI=1S/C23H21NO3S/c1-16-11-13-18(14-12-16)28(26)21-10-6-5-9-19(21)23-24-20(15-25)22(27-23)17-7-3-2-4-8-17/h2-14,20,22,25H,15H2,1H3/t20-,22-,28?/m0/s1
InChIKey PQWUHZSQKUGTEL-MUEJSNBNSA-N
Mol Weight 391.49 g/mol
Molecular Formula C23H21NO3S
Exact Mass 391.124215 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 39UdeylhT6X
Name (4S,5S,Ss)-4-Hydroxymethyl-2-[2-(4-methylphenylsulfanyl)phenyl]-5-phenyl-4,5-dihydro-1,3-oxazole
Alternate Name(s) ((4S,5S)-2-{2-[(4-methylphenyl)sulfinyl]phenyl}-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl)methanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H21NO3S
InChI InChI=1S/C23H21NO3S/c1-16-11-13-18(14-12-16)28(26)21-10-6-5-9-19(21)23-24-20(15-25)22(27-23)17-7-3-2-4-8-17/h2-14,20,22,25H,15H2,1H3/t20-,22-,28?/m0/s1
InChIKey PQWUHZSQKUGTEL-MUEJSNBNSA-N
Molecular Weight 391.485 g/mol
SMILES OC[C@@]1(N=C(O[C@]1(c1ccccc1)[H])c1c([S@](c2ccc(cc2)C)=O)cccc1)[H]
SPLASH splash10-0f6x-0539000000-31f556a293085bf265ff
Source of Spectrum KC-0-341-28
Wiley ID 785087