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6-{[2-(p-chlorophenyl)-N-cyanoacetimidoyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3,2,0]heptane-2-carboxylic acid, compound with diethylamine(1:1)
SpectraBase Compound ID 1WiA1zZYfSv
InChI InChI=1S/C17H17ClN4O3S.C4H11N/c1-17(2)13(16(24)25)22-14(23)12(15(22)26-17)21-11(20-8-19)7-9-3-5-10(18)6-4-9;1-3-5-4-2/h3-6,12-13,15H,7H2,1-2H3,(H,20,21)(H,24,25);5H,3-4H2,1-2H3/t12-,13+,15-;/m1./s1
InChIKey GFGSLZSLKYQYBK-ZCGPAKHCSA-N
Mol Weight 466.0 g/mol
Molecular Formula C21H28ClN5O3S
Exact Mass 465.160139 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 41rDLGAlX5y
Name 6-{[2-(p-CHLOROPHENYL)-N-CYANOACETIMIDOYL]AMINO}-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, COMPOUND WITH DIETHYLAMINE (1:1)
Source of Sample H. J. PETERSEN, LEO PHARMACEUTICAL PRODUCTS, BALLERUP, DENMARK
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28ClN5O3S
InChI InChI=1S/C17H17ClN4O3S.C4H11N/c1-17(2)13(16(24)25)22-14(23)12(15(22)26-17)21-11(20-8-19)7-9-3-5-10(18)6-4-9;1-3-5-4-2/h3-6,12-13,15H,7H2,1-2H3,(H,20,21)(H,24,25);5H,3-4H2,1-2H3/t12-,13+,15-;/m1./s1
InChIKey GFGSLZSLKYQYBK-ZCGPAKHCSA-N
Literature Reference J. MED. CHEM. 17, 101(1974)
Melting Point 126-128.5C (dec.)
Molecular Weight 465.997009
Synonyms 4-THIA-1-AZABICYCLO/3.2.0/HEPTANE- 2-CARBOXYLIC ACID, 6-//2-/P-CHLORO- PHENYL/-N-CYANOACETIMIDOYL/AMINO/- 3,3-DIMETHYL-7-OXO-, CMPD WITH DIETHYL AMINE /1 TO 1/ PENICILLANIC ACID, 6-//2-/P-CHLORO- PHENYL/-N-CYANOACETIMIDOYL/AMINO/-, CMPD WITH DIETHYLAMINE /1 TO 1/
Technique KBr WAFER