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2"-Bromomethyl-2,4:2'-4"-ter(1,3-oxazolyl)-4-carbonylic acid methyl ester
SpectraBase Compound ID 1KEAbWlHdiv
InChI InChI=1S/C12H8BrN3O5/c1-18-12(17)8-5-21-11(16-8)7-4-20-10(15-7)6-3-19-9(2-13)14-6/h3-5H,2H2,1H3
InChIKey IARAOKFRRNGMBS-UHFFFAOYSA-N
Mol Weight 354.12 g/mol
Molecular Formula C12H8BrN3O5
Exact Mass 352.964733 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8s6SDpKoDUS
Name 2''-Bromomethyl-2,4:2'-4''-ter(1,3-oxazolyl)-4-carbonylic acid methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 352.964733365 u
Formula C12H8BrN3O5
InChI InChI=1S/C12H8BrN3O5/c1-18-12(17)8-5-21-11(16-8)7-4-20-10(15-7)6-3-19-9(2-13)14-6/h3-5H,2H2,1H3
InChIKey IARAOKFRRNGMBS-UHFFFAOYSA-N
Molecular Weight 354.116 g/mol
SMILES C=1(N=C(C=2N=C(CBr)OC2)OC1)C1=NC(C(=O)OC)=CO1