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Methyl 3-(bromomethyl)-7-[(methoxycarbonyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate 5,5-dioxide
SpectraBase Compound ID 2ap2O24wcTe
InChI InChI=1S/C11H13BrN2O7S/c1-20-10(16)7-5(3-12)4-22(18,19)9-6(8(15)14(7)9)13-11(17)21-2/h6,9H,3-4H2,1-2H3,(H,13,17)
InChIKey DDONQQPECGSUOG-UHFFFAOYSA-N
Mol Weight 397.2 g/mol
Molecular Formula C11H13BrN2O7S
Exact Mass 395.962685 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID lqXO84rtw
Name Methyl 3-(bromomethyl)-7-[(methoxycarbonyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate 5,5-dioxide
Alternate Name(s) Methyl 3-bromomethyl-7-methoxycarbonylamino-3-cephem-4-carboxylate 1,1-dioxide 3-(bromomethyl)-7-(methoxycarbonylamino)-5,5,8-trioxo-5$l^{6}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid methyl ester Methyl 3-(bromomethyl)-7-(methoxycarbonylamino)-5,5,8-trioxo-5$l^{6}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Methyl 3-(bromomethyl)-7-(methoxycarbonylamino)-5,5,8-tris(oxidanylidene)-5$l^{6}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CAS Registry Number 97609-90-0
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Formula C11H13BrN2O7S
InChI InChI=1S/C11H13BrN2O7S/c1-20-10(16)7-5(3-12)4-22(18,19)9-6(8(15)14(7)9)13-11(17)21-2/h6,9H,3-4H2,1-2H3,(H,13,17)
InChIKey DDONQQPECGSUOG-UHFFFAOYSA-N
Molecular Weight 397.196 g/mol
SMILES N(C1C2N(C(C(OC)=O)=C(CS2(=O)=O)CBr)C1=O)C(OC)=O
SPLASH splash10-0uki-0930000000-73e7684f8e8e71c3fed8
Source of Spectrum W5-1989-38582-26954
Wiley ID 1367202