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3,3-DIMETHYL-7-OXO-6-(2-PHENOXYBUTYRAMIDO)-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, POTASSIUM SALT
SpectraBase Compound ID 3hfq7M0GiaH
InChI InChI=1S/C18H22N2O5S.K/c1-4-11(25-10-8-6-5-7-9-10)14(21)19-12-15(22)20-13(17(23)24)18(2,3)26-16(12)20;/h5-9,11-13,16H,4H2,1-3H3,(H,19,21)(H,23,24);/q;+1/p-1/t11?,12-,13+,16-;/m1./s1
InChIKey ULBKMFLWMIGVOJ-CFXUUZMDSA-M
Mol Weight 416.5333 g/mol
Molecular Formula C18H21KN2O5S
Exact Mass 416.080824 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 1rcFIn38W7s
Name 3,3-DIMETHYL-7-OXO-6-(2-PHENOXYBUTYRAMIDO)-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, POTASSIUM SALT
Source of Sample Y. G. Perron, Bristol Laboratories, Syracuse, New York
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21KN2O5S
InChI InChI=1S/C18H22N2O5S.K/c1-4-11(25-10-8-6-5-7-9-10)14(21)19-12-15(22)20-13(17(23)24)18(2,3)26-16(12)20;/h5-9,11-13,16H,4H2,1-3H3,(H,19,21)(H,23,24);/q;+1/p-1/t11?,12-,13+,16-;/m1./s1
InChIKey ULBKMFLWMIGVOJ-CFXUUZMDSA-M
Literature Reference JACS 82, 3934(1960)
Melting Point 195-197C (dec.)
Molecular Weight 416.533440
Synonyms PENICILLIN, /DL-A-PHENOXYPROPYL/-, POTASSIUM SALT
Technique KBr WAFER