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sodium (6R,7R)-7-[[(2E)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

View entire compound with spectra: 1 NMR

sodium (6R,7R)-7-[[(2E)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
SpectraBase Compound ID JvuCwRbRDil
InChI InChI=1S/C14H15N5O5S2.Na/c1-5-3-25-12-8(11(21)19(12)9(5)13(22)23)17-10(20)7(18-24-2)6-4-26-14(15)16-6;/h4,8,12H,3H2,1-2H3,(H2,15,16)(H,17,20)(H,22,23);/q;+1/p-1/b18-7+;/t8-,12-;/m1./s1
InChIKey NZQJSIPYDOTDFS-JJHIVTNASA-M
Mol Weight 419.41 g/mol
Molecular Formula C14H14N5NaO5S2
Exact Mass 419.033405 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9rE4ivXGq58
Name sodium (6R,7R)-7-[[(2E)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Compound Number 1F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H14N5NaO5S2
InChI InChI=1S/C14H15N5O5S2.Na/c1-5-3-25-12-8(11(21)19(12)9(5)13(22)23)17-10(20)7(18-24-2)6-4-26-14(15)16-6;/h4,8,12H,3H2,1-2H3,(H2,15,16)(H,17,20)(H,22,23);/q;+1/p-1/b18-7+;/t8-,12-;/m1./s1
InChIKey NZQJSIPYDOTDFS-JJHIVTNASA-M
Literature Reference Author J.JAZWINSKI,J.PANKOWSKI,J.WINIARSKI
Literature Reference Citation J.CHEM.SOC.PERKIN-2,365(1996)
Literature Reference DOI 10.1039/p29960000365
Molecular Weight 419.405 g/mol
Solvent DMSO-D6
Source File Reference WANG2439