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7-(2-Phenyl-2-hydroxy-acetamido)-desacetoxy-3'-(5-methyl-thiadiazol-2-ylthio)-cephalosporanic acid, anion

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7-(2-Phenyl-2-hydroxy-acetamido)-desacetoxy-3'-(5-methyl-thiadiazol-2-ylthio)-cephalosporanic acid, anion
SpectraBase Compound ID 2ulXexFBhpG
InChI InChI=1S/C21H20N2O5S3/c1-11-7-8-14(31-11)29-9-13-10-30-20-15(19(26)23(20)16(13)21(27)28)22-18(25)17(24)12-5-3-2-4-6-12/h2-8,15,17,20,24H,9-10H2,1H3,(H,22,25)(H,27,28)/p-1
InChIKey GTTVZOGINLNXNI-UHFFFAOYSA-M
Mol Weight 475.57 g/mol
Molecular Formula C21H19N2O5S3
Exact Mass 475.04561 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1Uqf2wMLZCC
Name 7-(2-Phenyl-2-hydroxy-acetamido)-desacetoxy-3'-(5-methyl-thiadiazol-2-ylthio)-cephalosporanic acid, anion
CAS Registry Number 65338-32-1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H19N2O5S3
InChI InChI=1S/C21H20N2O5S3/c1-11-7-8-14(31-11)29-9-13-10-30-20-15(19(26)23(20)16(13)21(27)28)22-18(25)17(24)12-5-3-2-4-6-12/h2-8,15,17,20,24H,9-10H2,1H3,(H,22,25)(H,27,28)/p-1
InChIKey GTTVZOGINLNXNI-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