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(2S,5R,6R)-6-Amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Compound with spectra: 4 NMR, 5 FTIR, and 2 Raman

(2S,5R,6R)-6-Amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SpectraBase Compound ID 3AGi6nSiUyR
InChI InChI=1S/C8H12N2O3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,9H2,1-2H3,(H,12,13)/t3-,4+,6-/m1/s1
InChIKey NGHVIOIJCVXTGV-ALEPSDHESA-N
Mol Weight 216.25 g/mol
Molecular Formula C8H12N2O3S
Exact Mass 216.056863 g/mol
Enantiomer InChIKey NGHVIOIJCVXTGV-RPDRRWSUSA-N

View Spectrum of (2S,5R,6R)-6-Amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

ATR-IR Spectrum
Copyright Copyright © 2014-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Company Llc
Source of Spectrum Forensic Spectral Research
Catalog Number A1005

View Spectrum of (2S,5R,6R)-6-Amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

ATR-IR Spectrum
Copyright Copyright © 2014-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Company Llc.
Source of Spectrum Bio-Rad Laboratories, Inc.
Catalog Number A70909

View Spectrum of (2S,5R,6R)-6-Amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

ATR-IR Spectrum
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Aldrich
Catalog Number A70909

View Spectrum of (2S,5R,6R)-6-Amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

13C NMR Spectrum
Copyright Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved.

View Spectrum of (2S,5R,6R)-6-Amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

13C NMR Spectrum
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Fluka AG, Buchs, Switzerland
Solvent Deuterium oxide/NaOD; Reference=Dioxane Spectrometer= Varian CFT-20

View Spectrum of (2S,5R,6R)-6-Amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CD3OD:CF3COOH

View Spectrum of (2S,5R,6R)-6-Amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

1H NMR Spectrum
Copyright Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved.

View Spectrum of (2S,5R,6R)-6-Amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Raman Spectrum
Copyright Copyright © 2014-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Company Llc.
Source of Spectrum Bio-Rad Laboratories
Catalog Number A70909

View Spectrum of (2S,5R,6R)-6-Amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Raman Spectrum
Copyright Copyright © 2015-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Company Llc
Source of Spectrum Forensic Spectral Research
Catalog Number A1005

View Spectrum of (2S,5R,6R)-6-Amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

FTIR Spectrum
Copyright Copyright © 2015-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Company Llc.
Source of Spectrum Bio-Rad Laboratories, Inc.
Catalog Number A70909
Technique KBr1

View Spectrum of (2S,5R,6R)-6-Amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

FTIR Spectrum
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Aldrich
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number A70909
Technique Mull
  • 6-Aminopenicillanic acid
  • 6-APA
  • (+)-6-Aminopenicillanic acid
  • 6-AMINOPENICILLINSAEURE
  • (+)-6-AMINO-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID
6-Ammonio-penicillanic acid, cation
(2S,6R)-6-amino-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-amino-3,3-dimethyl-7-oxo-
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-, phenylmethyl ester, (2R-trans)-
2-[[(4S)-3-formyl-2,2,5,5-tetramethyl-thiazolidine-4-carbonyl]amino]-2-methyl-propionic acid tert-butyl ester
Alanine, N-[N-[N-[1-(4-chlorobenzoyl)-L-prolyl]-L-valyl]-2-methylalanyl]-2-methyl-, methyl ester
Alanine, N-[N-[N-[1-(4-bromobenzoyl)-L-prolyl]-L-valyl]-2-methylalanyl]-2-methyl-, methyl ester
Methyl 2-[(2R,3S)-3-ethyl-2-(allylsulfanyl)-4-oxo-1-azetidin-1-yl]-3-methoxy-3-thioxopropanoate
N-(Ethoxyoxalyl)-2-phenylthiazolidine-4-carboxylic Acid
Diphenylmethyl 2-[N,N-(3'-phenyl-1',5'-pentanedioyl)aminomethyl]-5,5-dimethyl-(1,3)-thiazolidine-4-carboxylate
Title Journal or Book Year
Carbon-13 NMR of β-lactam antibiotics and related compounds Magnetic Resonance in Chemistry 1986
Vendor/Supplier Catalog Number
Sigma-Aldrich Company Llc
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