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(4S,5S)-2-[3-(N-Benzenesulfonyl-N-methylamino)-(1S)-1-phenylthiopentyl]-4-methyl-5-phenyl-1,3-oxazoline
SpectraBase Compound ID xoKGmDqRDn
InChI InChI=1S/C28H32N2O3S2/c1-4-23(30(3)35(31,32)25-18-12-7-13-19-25)20-26(34-24-16-10-6-11-17-24)28-29-21(2)27(33-28)22-14-8-5-9-15-22/h5-19,21,23,26-27H,4,20H2,1-3H3/t21-,23?,26-,27+/m0/s1
InChIKey DENHLGGUFPFMAH-OTWYDDPZSA-N
Mol Weight 508.7 g/mol
Molecular Formula C28H32N2O3S2
Exact Mass 508.185435 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gml2sPrEQrQ
Name (4S,5S)-2-[3-(N-Benzenesulfonyl-N-methylamino)-(1S)-1-phenylthiopentyl]-4-methyl-5-phenyl-1,3-oxazoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H32N2O3S2
InChI InChI=1S/C28H32N2O3S2/c1-4-23(30(3)35(31,32)25-18-12-7-13-19-25)20-26(34-24-16-10-6-11-17-24)28-29-21(2)27(33-28)22-14-8-5-9-15-22/h5-19,21,23,26-27H,4,20H2,1-3H3/t21-,23?,26-,27+/m0/s1
InChIKey DENHLGGUFPFMAH-OTWYDDPZSA-N
Molecular Weight 508.695 g/mol
SMILES C(N(S(=O)(=O)c1ccccc1)C)(C[C@@](C1=N[C@@](C)([C@@](O1)(c1ccccc1)[H])[H])(Sc1ccccc1)[H])CC
SPLASH splash10-002f-9101000000-4eb6d8fc2c5b640593de
Source of Spectrum QC-8-2440-5i
Wiley ID 870036