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N-[(R)-(1,1-DIOXO-1,2-THIAZETIDINE-3-YL)-CARBONYL]-D-ALANINE_BENZYLESTER
SpectraBase Compound ID C1ocDWVYq0I
InChI InChI=1S/C13H16N2O5S/c1-9(14-12(16)11-8-21(18,19)15-11)13(17)20-7-10-5-3-2-4-6-10/h2-6,9,11,15H,7-8H2,1H3,(H,14,16)/t9-,11+/m0/s1
InChIKey QSLDXYIGIORCHJ-GXSJLCMTSA-N
Mol Weight 312.34 g/mol
Molecular Formula C13H16N2O5S
Exact Mass 312.077993 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 16t4E3NVcSW
Name N-[(R)-(1,1-DIOXO-1,2-THIAZETIDINE-3-YL)-CARBONYL]-D-ALANINE_BENZYLESTER
Compound Number 35
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H16N2O5S
InChI InChI=1S/C13H16N2O5S/c1-9(14-12(16)11-8-21(18,19)15-11)13(17)20-7-10-5-3-2-4-6-10/h2-6,9,11,15H,7-8H2,1H3,(H,14,16)/t9-,11+/m0/s1
InChIKey QSLDXYIGIORCHJ-GXSJLCMTSA-N
Literature Reference Author T.ROEHRICH,B.A.THAHER,N.MANICONE,H.H.OTTO
Literature Reference Citation MH.CHEM.,135,979(2004)
Molecular Weight 312.340 g/mol
Solvent ACETONE-D6
Source File Reference UWMZ10886