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

*Links on SpectraBase are not permalinks.

(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 <a href=https://www.sigmaaldrich.com/US/en/product/sigma/A1005>A1005</a>

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 <a href=https://www.sigmaaldrich.com/US/en/product/sigma/A1005>A1005</a>

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
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-amino-3,3-dimethyl-7-oxo-
(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, 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
(2S,4R)-2-(p-Methoxybenzoyl)-N-(prop-2-ynyloxyacetyl)thiazolidine-4-carboxylic acid
(2R,4R)-2-(4-methoxybenzoyl)-3-(2-prop-2-ynoxyacetyl)-1,3-thiazolidine-4-carboxylic acid
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
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
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.