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Methyl 3-methyl-7.beta.-(4'-bromophenoxy)-acetamido-3-cephem-4-carboxylate - 1,1-dioxide
SpectraBase Compound ID E6Ru3P1XOpF
InChI InChI=1S/C17H17BrN2O7S/c1-9-8-28(24,25)16-13(15(22)20(16)14(9)17(23)26-2)19-12(21)7-27-11-5-3-10(18)4-6-11/h3-6,13,16H,7-8H2,1-2H3,(H,19,21)/t13-,16+/m1/s1
InChIKey LOHVIMMLEJCQBK-CJNGLKHVSA-N
Mol Weight 473.29 g/mol
Molecular Formula C17H17BrN2O7S
Exact Mass 471.993985 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4YxmApHpn8s
Name Methyl 3-methyl-7.beta.-(4'-bromophenoxy)-acetamido-3-cephem-4-carboxylate - 1,1-dioxide
Comments Less than 3 mono-isotopic peaks
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Formula C17H17BrN2O7S
InChI InChI=1S/C17H17BrN2O7S/c1-9-8-28(24,25)16-13(15(22)20(16)14(9)17(23)26-2)19-12(21)7-27-11-5-3-10(18)4-6-11/h3-6,13,16H,7-8H2,1-2H3,(H,19,21)/t13-,16+/m1/s1
InChIKey LOHVIMMLEJCQBK-CJNGLKHVSA-N
Molecular Weight 473.294 g/mol
SMILES N([C@]1([C@@]2(S(CC(=C(N2C1=O)C(=O)OC)C)(=O)=O)[H])[H])C(=O)COc1ccc(cc1)Br
SPLASH splash10-0a4i-0900000000-ab96fa334b8c1166385b
Source of Spectrum SK-27-3401-5
Synonyms methyl (6S,7R)-7-{[(4-bromophenoxy)acetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate 5,5-dioxide
Wiley ID 868038