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(4S,Rs)-4-Isopropyl-2-[2-(4-methylphenylsulfanyl)phenyl]-4,5-dihydro-1,3-oxazole

View entire compound with spectra: 3 MS (GC)

(4S,Rs)-4-Isopropyl-2-[2-(4-methylphenylsulfanyl)phenyl]-4,5-dihydro-1,3-oxazole
SpectraBase Compound ID 5w0Ew5LzVY5
InChI InChI=1S/C19H21NO2S/c1-13(2)17-12-22-19(20-17)16-6-4-5-7-18(16)23(21)15-10-8-14(3)9-11-15/h4-11,13,17H,12H2,1-3H3/t17-,23?/m1/s1
InChIKey YEHLBWCYEFMSOD-LIXIDFRTSA-N
Mol Weight 327.44 g/mol
Molecular Formula C19H21NO2S
Exact Mass 327.1293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CW6Jxr8KRnw
Name (4S,Ss)-4-Isopropyl-2-[2-(4-methylphenylsulfanyl)phenyl]-4,5-dihydro-1,3-oxazole
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H21NO2S
InChI InChI=1S/C19H21NO2S/c1-13(2)17-12-22-19(20-17)16-6-4-5-7-18(16)23(21)15-10-8-14(3)9-11-15/h4-11,13,17H,12H2,1-3H3/t17-,23?/m1/s1
InChIKey YEHLBWCYEFMSOD-LIXIDFRTSA-N
Molecular Weight 327.442 g/mol
SMILES C1(=N[C@@](C(C)C)(CO1)[H])c1c([S@](c2ccc(cc2)C)=O)cccc1
SPLASH splash10-004i-0029000000-8d3de6574f0b2fe475cc
Source of Spectrum KC-0-339-23
Synonyms 2-(4-isopropyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl 4-methylphenyl sulfoxide 4-isopropyl-2-{2-[(4-methylphenyl)sulfinyl]phenyl}-4,5-dihydro-1,3-oxazole (4S)-2-[2-[(S)-(4-methylphenyl)sulfinyl]phenyl]-4-propan-2-yl-4,5-dihydrooxazole (4S)-4-isopropyl-2-[2-[(S)-p-tolylsulfinyl]phenyl]-4,5-dihydrooxazole (4S)-2-[2-[(S)-(4-methylphenyl)sulfinyl]phenyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
Wiley ID 785089