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(4S)-2-[3-(N-Benzenesulfonyl-N-methylamino)-1-phenylthiopropyl]-4-ethyl-1,3-oxazoline
SpectraBase Compound ID AiJAG0QPZSD
InChI InChI=1S/C21H26N2O3S2/c1-3-17-16-26-21(22-17)20(27-18-10-6-4-7-11-18)14-15-23(2)28(24,25)19-12-8-5-9-13-19/h4-13,17,20H,3,14-16H2,1-2H3/t17-,20?/m0/s1
InChIKey ACZLVDSVAFSVPB-DIMJTDRSSA-N
Mol Weight 418.57 g/mol
Molecular Formula C21H26N2O3S2
Exact Mass 418.138485 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 14ez4vFZuC
Name (4S)-2-[3-(N-Benzenesulfonyl-N-methylamino)-1-phenylthiopropyl]-4-ethyl-1,3-oxazoline
Alternate Name(s) (4R)-2-[3-(N-Benzenesulfonyl-N-methylamino)-(1R)-1-phenylthiopropyl]-4-ethyl-1,3-oxazoline (4S)-2-[3-(N-Benzenesulfonyl-N-methylamino)-(1R)-1-phenylthiopropyl]-4-ethyl-1,3-oxazoline N-[3-[(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-3-(phenylsulfanyl)propyl]-N-methylbenzenesulfonamide
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Formula C21H26N2O3S2
InChI InChI=1S/C21H26N2O3S2/c1-3-17-16-26-21(22-17)20(27-18-10-6-4-7-11-18)14-15-23(2)28(24,25)19-12-8-5-9-13-19/h4-13,17,20H,3,14-16H2,1-2H3/t17-,20?/m0/s1
InChIKey ACZLVDSVAFSVPB-DIMJTDRSSA-N
Molecular Weight 418.570 g/mol
SMILES C(N(S(=O)(=O)c1ccccc1)C)CC(C1=N[C@](CC)([H])CO1)Sc1ccccc1
SPLASH splash10-00pi-3790000000-824729b56e4ca0abcfb7
Source of Spectrum QC-8-2439-5
Wiley ID 870039