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(4S)-4-tert-butyl-2-(2-phenylsulfanylphenyl)-4,5-dihydrooxazole

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(4S)-4-tert-butyl-2-(2-phenylsulfanylphenyl)-4,5-dihydrooxazole
SpectraBase Compound ID 8fsRPrCFBpQ
InChI InChI=1S/C19H21NOS/c1-19(2,3)17-13-21-18(20-17)15-11-7-8-12-16(15)22-14-9-5-4-6-10-14/h4-12,17H,13H2,1-3H3/t17-/m1/s1
InChIKey GOPIYROCGYWUJD-QGZVFWFLSA-N
Mol Weight 311.44 g/mol
Molecular Formula C19H21NOS
Exact Mass 311.134385 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EscG1Rfy0Q8
Name (4S)-4-Tert-butyl-2-(2-phenylsulfanylphenyl)-4,5-dihydrooxazole
Comments Computed using HOSE algorithm
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Exact Mass 311.134385473 u
Formula C19H21NOS
InChI InChI=1S/C19H21NOS/c1-19(2,3)17-13-21-18(20-17)15-11-7-8-12-16(15)22-14-9-5-4-6-10-14/h4-12,17H,13H2,1-3H3/t17-/m1/s1
InChIKey GOPIYROCGYWUJD-QGZVFWFLSA-N
Molecular Weight 311.443 g/mol
SMILES C=1(OC[C@@](N1)(C(C)(C)C)[H])C=1C(=CC=CC1)SC=1C=CC=CC1