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6a-chloro-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, methyl ester
SpectraBase Compound ID EaRxvxE9ein
InChI InChI=1S/C9H12ClNO3S/c1-9(2)5(8(13)14-3)11-6(12)4(10)7(11)15-9/h4-5,7H,1-3H3/t4-,5-,7+/s2
InChIKey VLPXPPIGKPMYHL-GMHMLCCCSA-N
Mol Weight 249.71 g/mol
Molecular Formula C9H12ClNO3S
Exact Mass 249.022642 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 5XjbtjSMWDi
Name 6alpha-CHLORO-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, METHYL ESTER
Source of Sample R. J. Stoodley, the University of Newcastle, Newcastle Upon Tyne, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12ClNO3S
InChI InChI=1S/C9H12ClNO3S/c1-9(2)5(8(13)14-3)11-6(12)4(10)7(11)15-9/h4-5,7H,1-3H3/t4-,5-,7+/s2
InChIKey VLPXPPIGKPMYHL-GMHMLCCCSA-N
Literature Reference J. CHEM. SOC. (C), 2533(1968)
Melting Point 76-78C
Molecular Weight 249.709000
Optical Properties Optical Rotation= (20C) +200 DEG (c=0.25, ACETONE)
Synonyms PENICILLANIC ACID, 6A-CHLORO-, METHYL ESTER 4-THIA-1-AZABICYCLO/3.2.0/HEPTANE- 2-CARBOXYLIC ACID, 6A-CHLORO-3,3-DI- METHYL-7-OXO-, METHYL ESTER
Technique KBr WAFER