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5-(hydroxymethyl)-flucloxacillin
SpectraBase Compound ID Ezu9DYjRDX6
InChI InChI=1S/C19H17ClFN3O6S/c1-19(2)14(18(28)29)24-16(27)13(17(24)31-19)22-15(26)11-9(6-25)30-23-12(11)10-7(20)4-3-5-8(10)21/h3-5,13-14,17,25H,6H2,1-2H3,(H,22,26)(H,28,29)
InChIKey ZUBWLMQDPXVIGD-UHFFFAOYSA-N
Mol Weight 469.87 g/mol
Molecular Formula C19H17ClFN3O6S
Exact Mass 469.051062 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D5SLNGV94oc
Name 5-(hydroxymethyl)-flucloxacillin
Alternate Name(s) 6-[[[3-(2-chloro-6-fluorophenyl)-5-(hydroxymethyl)-4-isoxazolyl]-oxomethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 6-[[3-(2-chloro-6-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 6-[[3-(2-chloro-6-fluoro-phenyl)-5-(hydroxymethyl)isoxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 6-[[3-(2-chloranyl-6-fluoranyl-phenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]carbonylamino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
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Formula C19H17ClFN3O6S
InChI InChI=1S/C19H17ClFN3O6S/c1-19(2)14(18(28)29)24-16(27)13(17(24)31-19)22-15(26)11-9(6-25)30-23-12(11)10-7(20)4-3-5-8(10)21/h3-5,13-14,17,25H,6H2,1-2H3,(H,22,26)(H,28,29)
InChIKey ZUBWLMQDPXVIGD-UHFFFAOYSA-N
Molecular Weight 469.871 g/mol
SMILES N(C(c1c(CO)onc1-c1c(F)cccc1Cl)=O)C1C2N(C(C(=O)O)C(S2)(C)C)C1=O
SPLASH splash10-03di-0900000000-d48f85036049ba111b3a
Source of Spectrum CRT-14-696-FLUC/B
Wiley ID 1709907