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3-[(1,3-benzothiazol-2-yl-methyl-carbamoyl)amino]-3-keto-propionic acid methyl ester
SpectraBase Compound ID EBrtlO4WXYW
InChI InChI=1S/C13H13N3O4S/c1-16(12(19)15-10(17)7-11(18)20-2)13-14-8-5-3-4-6-9(8)21-13/h3-6H,7H2,1-2H3,(H,15,17,19)
InChIKey MBYUTKORNPWEPG-UHFFFAOYSA-N
Mol Weight 307.32 g/mol
Molecular Formula C13H13N3O4S
Exact Mass 307.062677 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AXeUCy0xs7R
Name 3-[(1,3-benzothiazol-2-yl-methyl-carbamoyl)amino]-3-keto-propionic acid methyl ester
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H13N3O4S
InChI InChI=1S/C13H13N3O4S/c1-16(12(19)15-10(17)7-11(18)20-2)13-14-8-5-3-4-6-9(8)21-13/h3-6H,7H2,1-2H3,(H,15,17,19)
InChIKey MBYUTKORNPWEPG-UHFFFAOYSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2007)
Molecular Weight 307.324 g/mol
Source File Reference MHKO16521