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7-(5-Amino-5-carboxy-pentanoylamido)-7-methoxy-cephalosporanic acid, anion

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7-(5-Amino-5-carboxy-pentanoylamido)-7-methoxy-cephalosporanic acid, anion
SpectraBase Compound ID ALSAGdzGYIi
InChI InChI=1S/C17H23N3O9S/c1-8(21)29-6-9-7-30-16-17(28-2,15(27)20(16)12(9)14(25)26)19-11(22)5-3-4-10(18)13(23)24/h10,16H,3-7,18H2,1-2H3,(H,19,22)(H,23,24)(H,25,26)/p-1
InChIKey ORQHMODRGXTBFU-UHFFFAOYSA-M
Mol Weight 444.44 g/mol
Molecular Formula C17H22N3O9S
Exact Mass 444.107675 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2LudeWgY6FA
Name 7-(5-Amino-5-carboxy-pentanoylamido)-7-methoxy-cephalosporanic acid, anion
CAS Registry Number 32178-82-8
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C17H22N3O9S
InChI InChI=1S/C17H23N3O9S/c1-8(21)29-6-9-7-30-16-17(28-2,15(27)20(16)12(9)14(25)26)19-11(22)5-3-4-10(18)13(23)24/h10,16H,3-7,18H2,1-2H3,(H,19,22)(H,23,24)(H,25,26)/p-1
InChIKey ORQHMODRGXTBFU-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