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[2-(4,4-DIMETHYL-1,1-DIOXO-1,2-THIAZETIDINE-2-YL)-ACETYL]-D-ALANYL-D-ALANINE_BENZYLESTER
SpectraBase Compound ID KjgsGEDTMvS
InChI InChI=1S/C19H27N3O6S/c1-13(20-16(23)10-22-12-19(3,4)29(22,26)27)17(24)21-14(2)18(25)28-11-15-8-6-5-7-9-15/h5-9,13-14H,10-12H2,1-4H3,(H,20,23)(H,21,24)/t13-,14-/m0/s1
InChIKey QTUFBWYSYFJMIA-KBPBESRZSA-N
Mol Weight 425.5 g/mol
Molecular Formula C19H27N3O6S
Exact Mass 425.162057 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5H4oVaOGOR1
Name [2-(4,4-DIMETHYL-1,1-DIOXO-1,2-THIAZETIDINE-2-YL)-ACETYL]-D-ALANYL-D-ALANINE_BENZYLESTER
Compound Number 31
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H27N3O6S
InChI InChI=1S/C19H27N3O6S/c1-13(20-16(23)10-22-12-19(3,4)29(22,26)27)17(24)21-14(2)18(25)28-11-15-8-6-5-7-9-15/h5-9,13-14H,10-12H2,1-4H3,(H,20,23)(H,21,24)/t13-,14-/m0/s1
InChIKey QTUFBWYSYFJMIA-KBPBESRZSA-N
Literature Reference Author T.ROEHRICH,B.A.THAHER,N.MANICONE,H.H.OTTO
Literature Reference Citation MH.CHEM.,135,979(2004)
Molecular Weight 425.500 g/mol
Solvent CDCl3
Source File Reference UWMZ10884