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(4S,5S)-2-[1,1-Bis(methylthio)-3-(N-benzenesulfonyl-N-methylamino)propyl]-4-methyl-5-phenyl-1,3-oxazoline
SpectraBase Compound ID C6u9WxUCIrQ
InChI InChI=1S/C22H28N2O3S3/c1-17-20(18-11-7-5-8-12-18)27-21(23-17)22(28-3,29-4)15-16-24(2)30(25,26)19-13-9-6-10-14-19/h5-14,17,20H,15-16H2,1-4H3/t17-,20+/m0/s1
InChIKey KUASILKKHZSLLI-FXAWDEMLSA-N
Mol Weight 464.66 g/mol
Molecular Formula C22H28N2O3S3
Exact Mass 464.126206 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2uwrkQt1vOR
Name (4S,5S)-2-[1,1-Bis(methylthio)-3-(N-benzenesulfonyl-N-methylamino)propyl]-4-methyl-5-phenyl-1,3-oxazoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28N2O3S3
InChI InChI=1S/C22H28N2O3S3/c1-17-20(18-11-7-5-8-12-18)27-21(23-17)22(28-3,29-4)15-16-24(2)30(25,26)19-13-9-6-10-14-19/h5-14,17,20H,15-16H2,1-4H3/t17-,20+/m0/s1
InChIKey KUASILKKHZSLLI-FXAWDEMLSA-N
Molecular Weight 464.657 g/mol
SMILES C(N(S(=O)(=O)c1ccccc1)C)CC(C1=N[C@@](C)([C@@](O1)(c1ccccc1)[H])[H])(SC)SC
SPLASH splash10-005c-9800000000-5c6c4fed26a35deb68f1
Source of Spectrum QC-8-2441-8
Synonyms N-methyl-N-[3-[(4S,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3,3-bis(methylsulfanyl)propyl]benzenesulfonamide
Wiley ID 870033