For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

[5R,6S,6(1R)]-6-(1-hydroxyethyl)-3-(hydroxymethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, monosodium salt, 3-carbamate

Compound with spectra: 1 NMR, and 1 FTIR

[5R,6S,6(1R)]-6-(1-hydroxyethyl)-3-(hydroxymethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, monosodium salt, 3-carbamate
SpectraBase Compound ID IrW4O5IvGH2
InChI InChI=1S/C10H12N2O6S.Na/c1-3(13)5-7(14)12-6(9(15)16)4(19-8(5)12)2-18-10(11)17;/h3,5,8,13H,2H2,1H3,(H2,11,17)(H,15,16);/q;+1/p-1/t3-,5+,8-;/m1./s1
InChIKey FPLQVCOCYJJHBC-HIQLJADVSA-M
Mol Weight 310.25576928 g/mol
Molecular Formula C10H11N2NaO6S
Exact Mass 310.023552 g/mol
Parent InChIKey IKQNRQOUOZJHTR-UWBRJAPDSA-M
Enantiomer InChIKey FPLQVCOCYJJHBC-LSPAJTSNSA-M

View Spectrum of [5R,6S,6(1R)]-6-(1-hydroxyethyl)-3-(hydroxymethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, monosodium salt, 3-carbamate

1H NMR Spectrum
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Solvent DMSO-d6

View Spectrum of [5R,6S,6(1R)]-6-(1-hydroxyethyl)-3-(hydroxymethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, monosodium salt, 3-carbamate

FTIR Spectrum
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample C. Battistini, Farmitalia Carlo Erba S.p.A., Milan, Italy
Technique 4000-1350 CM^-^1=MULLED IN PERFLUORINATED HYDROCARBON; 1350-450 CM^-^1=MULLED IN MINERAL OIL
  • FCE-22101
  • 4-THIA-1-AZABICYCLO/3.2.0/HEPT-2-ENE- 2-CARBOXYLIC ACID, 6-/1-HYDROXYETHYL/- 3-/HYDROXYMETHYL/-7-OXO-, MONOSODIUM SALT, 3-CARBAMATE, /5R,6S,6/1R//-,
Thienamycin
7-{[3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
7-Acetamido cephalosporanic acid
7-Acetamido-cephalosporanic acid, anion
Cefadroxil
3-methyl-7-{[(1-methyl-1H-pyrazol-4-yl)carbonyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
7-[(2-amino-2-phenyl-acetyl)amino]-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Cefalexin
7-(Phenyl-aminoacetamido)-desacetoxy-cephalosporanic anion
CEPHALEXIN;7-(ALPHA-AMINO-ALPHA-PHENYLACETAMIDO)-3-METHYL-3-CEPHEM-4-CARBOXYLIC-ACID
Other Resources
Unknown Identification

Search your unknown spectrum against the world's largest collection of reference spectra

KnowItAll Campus Solutions

KnowItAll offers faculty and students at your school access to all the tools you need for spectral analysis and structure drawing & publishing! Plus, access the world's largest spectral library.