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1-BENZYL-3-(N,N-DIBENZYLAMINO)-4,4-BIS-(METHYLTHIO)-2-AZETIDINONE
SpectraBase Compound ID HQILjkjCikY
InChI InChI=1S/C26H28N2OS2/c1-30-26(31-2)24(25(29)28(26)20-23-16-10-5-11-17-23)27(18-21-12-6-3-7-13-21)19-22-14-8-4-9-15-22/h3-17,24H,18-20H2,1-2H3
InChIKey KFPFIAASGKSBOQ-UHFFFAOYSA-N
Mol Weight 448.64 g/mol
Molecular Formula C26H28N2OS2
Exact Mass 448.164306 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LgVRaUabfdz
Name 1-BENZYL-3-(N,N-DIBENZYLAMINO)-4,4-BIS-(METHYLTHIO)-2-AZETIDINONE
CAS Registry Number 137628-95-6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H28N2OS2
InChI InChI=1S/C26H28N2OS2/c1-30-26(31-2)24(25(29)28(26)20-23-16-10-5-11-17-23)27(18-21-12-6-3-7-13-21)19-22-14-8-4-9-15-22/h3-17,24H,18-20H2,1-2H3
InChIKey KFPFIAASGKSBOQ-UHFFFAOYSA-N
Literature Reference Author B.ALCAIDE,G.DOMINGUEZ,J.PLUMET,M.A.SIERRA
Literature Reference Citation J.ORG.CHEM.,57,447(1992)
Literature Reference DOI 10.1021/jo00028a013
Molecular Weight 448.641 g/mol
Solvent CDCl3
Source File Reference UWCS2177