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(4R,5S)-3-[1-Oxo-3-(1,3-dithian-2-ylidene)-2-benzylpropyl]-4-methyl-5-phenyl-2-oxazolidenone
SpectraBase Compound ID FUwZG3WNTRB
InChI InChI=1S/C24H25NO3S2/c1-17-22(19-11-6-3-7-12-19)28-24(27)25(17)23(26)20(15-18-9-4-2-5-10-18)16-21-29-13-8-14-30-21/h2-7,9-12,16-17,20,22H,8,13-15H2,1H3/t17-,20?,22-/m1/s1
InChIKey CTBWRRMAOZEAEE-IOVLZCAISA-N
Mol Weight 439.59 g/mol
Molecular Formula C24H25NO3S2
Exact Mass 439.127586 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KAIsTzJwDbo
Name (4R,5S)-3-[1-Oxo-3-(1,3-dithian-2-ylidene)-2-benzylpropyl]-4-methyl-5-phenyl-2-oxazolidenone
Alternate Name(s) (4R,5S)-3-[2-benzyl-3-(1,3-dithian-2-ylidene)propanoyl]-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H25NO3S2
InChI InChI=1S/C24H25NO3S2/c1-17-22(19-11-6-3-7-12-19)28-24(27)25(17)23(26)20(15-18-9-4-2-5-10-18)16-21-29-13-8-14-30-21/h2-7,9-12,16-17,20,22H,8,13-15H2,1H3/t17-,20?,22-/m1/s1
InChIKey CTBWRRMAOZEAEE-IOVLZCAISA-N
Molecular Weight 439.588 g/mol
SMILES [C]1(=[N]([C@@]([C@@](O1)(c1ccccc1)[H])(C)[H])C(C(C=C1SCCCS1)Cc1ccccc1)=O)=O
SPLASH splash10-00r6-8911000000-547c67c514a9c3683cd4
Source of Spectrum J-58-2733-19
Wiley ID 1384422