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3,3-dimethyl-6 beta-iodo-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, sodium salt
SpectraBase Compound ID 89F4qgTHrrK
InChI InChI=1S/C8H10INO3S.Na/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8;/h3-4,6H,1-2H3,(H,12,13);/q;+1/p-1/t3-,4+,6-;/m1./s1
InChIKey FNOXTYWLZGAXMI-ZXSAOVMCSA-M
Mol Weight 349.11824228 g/mol
Molecular Formula C8H9INNaO3S
Exact Mass 348.924554 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID gIwIxxzh6G
Name 3,3-DIMETHYL-6beta-IODO-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, SODIUM SALT
Source of Sample J. E. G. Kemp, Pfizer Ltd., Sandwich, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H9INNaO3S
InChI InChI=1S/C8H10INO3S.Na/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8;/h3-4,6H,1-2H3,(H,12,13);/q;+1/p-1/t3-,4+,6-;/m1./s1
InChIKey FNOXTYWLZGAXMI-ZXSAOVMCSA-M
Molecular Weight 349.12
Solvent Deuterium oxide; Reference=Dioxane Spectrometer= Varian CFT-20
Synonyms PENICILLANIC ACID, 6B-IODO-, SODIUM SALT 4-THIA-1-AZABICYCLO/3.2.0/HEPTANE- 2-CARBOXYLIC ACID, 3,3-DIMETHYL- 6B-IODO-7-OXO-, SODIUM SALT