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N'-[(6-bromo-2-oxo-2H-chromen-3-yl)carbonyl]-2-(4-fluorophenoxy)acetohydrazide
SpectraBase Compound ID CiLVnK1szrv
InChI InChI=1S/C18H12BrFN2O5/c19-11-1-6-15-10(7-11)8-14(18(25)27-15)17(24)22-21-16(23)9-26-13-4-2-12(20)3-5-13/h1-8H,9H2,(H,21,23)(H,22,24)
InChIKey DNNNZTNYYOGBEJ-UHFFFAOYSA-N
Mol Weight 435.21 g/mol
Molecular Formula C18H12BrFN2O5
Exact Mass 433.991363 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6YMabcSdJ
Name N'-[(6-bromo-2-oxo-2H-chromen-3-yl)carbonyl]-2-(4-fluorophenoxy)acetohydrazide
Comments Computed using HOSE algorithm
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Exact Mass 433.991362652 u
Formula C18H12BrFN2O5
InChI InChI=1S/C18H12BrFN2O5/c19-11-1-6-15-10(7-11)8-14(18(25)27-15)17(24)22-21-16(23)9-26-13-4-2-12(20)3-5-13/h1-8H,9H2,(H,21,23)(H,22,24)
InChIKey DNNNZTNYYOGBEJ-UHFFFAOYSA-N
Molecular Weight 435.205 g/mol
SMILES N(C(C=1C(OC2=C(C1)C=C(C=C2)Br)=O)=O)NC(=O)COC=1C=CC(F)=CC1