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3-benzyl-2-oxo-2H-chromen-4-yl 2-bromobenzoate

View entire compound with spectra: 2 NMR

3-benzyl-2-oxo-2H-chromen-4-yl 2-bromobenzoate
SpectraBase Compound ID Ey8IF2gXCGY
InChI InChI=1S/C23H15BrO4/c24-19-12-6-4-10-16(19)22(25)28-21-17-11-5-7-13-20(17)27-23(26)18(21)14-15-8-2-1-3-9-15/h1-13H,14H2
InChIKey PVAUAXMGPSIQFH-UHFFFAOYSA-N
Mol Weight 435.27 g/mol
Molecular Formula C23H15BrO4
Exact Mass 434.015372 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4CYNR0CMDVO
Name 3-Benzyl-2-oxo-2H-chromen-4-yl 2-bromobenzoate
Comments Computed using HOSE algorithm
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Exact Mass 434.015371959 u
Formula C23H15BrO4
InChI InChI=1S/C23H15BrO4/c24-19-12-6-4-10-16(19)22(25)28-21-17-11-5-7-13-20(17)27-23(26)18(21)14-15-8-2-1-3-9-15/h1-13H,14H2
InChIKey PVAUAXMGPSIQFH-UHFFFAOYSA-N
Molecular Weight 435.273 g/mol
SMILES C1(=C(OC(C2=C(Br)C=CC=C2)=O)C2=CC=CC=C2OC1=O)CC=1C=CC=CC1