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7-(2-Tetrazolyl-acetamido)-desacetoxy-3'-(5-methyl-1,3,4-thiadiazol-2-ylthio)-cephalosporanic acid, anion

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7-(2-Tetrazolyl-acetamido)-desacetoxy-3'-(5-methyl-1,3,4-thiadiazol-2-ylthio)-cephalosporanic acid, anion
SpectraBase Compound ID 9M9lemb9ysd
InChI InChI=1S/C16H16N6O4S3/c1-8-2-3-11(29-8)27-5-9-6-28-15-12(14(24)22(15)13(9)16(25)26)19-10(23)4-21-18-7-17-20-21/h2-3,7,12,15H,4-6H2,1H3,(H,19,23)(H,25,26)/p-1
InChIKey AZJFPUCZGVMAFM-UHFFFAOYSA-M
Mol Weight 451.51 g/mol
Molecular Formula C16H15N6O4S3
Exact Mass 451.031692 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HTau4Jev3ae
Name 7-(2-Tetrazolyl-acetamido)-desacetoxy-3'-(5-methyl-1,3,4-thiadiazol-2-ylthio)-cephalosporanic acid, anion
CAS Registry Number 33306-26-2
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H15N6O4S3
InChI InChI=1S/C16H16N6O4S3/c1-8-2-3-11(29-8)27-5-9-6-28-15-12(14(24)22(15)13(9)16(25)26)19-10(23)4-21-18-7-17-20-21/h2-3,7,12,15H,4-6H2,1H3,(H,19,23)(H,25,26)/p-1
InChIKey AZJFPUCZGVMAFM-UHFFFAOYSA-M
Instrument Name Jeol PFT-100
Literature Reference J.W. Paschal, D.E. Dorman, J. Org. Chem. 43, 2013 (1978).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent H2O