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sodium 3-(acetoxymethyl)-7-[(5-ammonio-6-keto-6-oxido-hexanoyl)amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

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sodium 3-(acetoxymethyl)-7-[(5-ammonio-6-keto-6-oxido-hexanoyl)amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
SpectraBase Compound ID JD8dQBxH5se
InChI InChI=1S/C16H21N3O8S.Na/c1-7(20)27-5-8-6-28-14-11(13(22)19(14)12(8)16(25)26)18-10(21)4-2-3-9(17)15(23)24;/h9,11,14H,2-6,17H2,1H3,(H,18,21)(H,23,24)(H,25,26);/q;+1/p-1
InChIKey HZWLVUKHUSRPCG-UHFFFAOYSA-M
Mol Weight 437.4 g/mol
Molecular Formula C16H20N3NaO8S
Exact Mass 437.08688 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KjKQ199IFPK
Name sodium 3-(acetoxymethyl)-7-[(5-ammonio-6-keto-6-oxido-hexanoyl)amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H20N3NaO8S
InChI InChI=1S/C16H21N3O8S.Na/c1-7(20)27-5-8-6-28-14-11(13(22)19(14)12(8)16(25)26)18-10(21)4-2-3-9(17)15(23)24;/h9,11,14H,2-6,17H2,1H3,(H,18,21)(H,23,24)(H,25,26);/q;+1/p-1
InChIKey HZWLVUKHUSRPCG-UHFFFAOYSA-M
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2007)
Molecular Weight 437.400 g/mol
Source File Reference MHKO16121