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

View entire compound with spectra: 2 NMR

3-benzyl-2-oxo-2H-chromen-4-yl 3-iodobenzoate
SpectraBase Compound ID 4ZQ45bHHc9Q
InChI InChI=1S/C23H15IO4/c24-17-10-6-9-16(14-17)22(25)28-21-18-11-4-5-12-20(18)27-23(26)19(21)13-15-7-2-1-3-8-15/h1-12,14H,13H2
InChIKey CEZZOWPIPKDQOV-UHFFFAOYSA-N
Mol Weight 482.27 g/mol
Molecular Formula C23H15IO4
Exact Mass 482.001504 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3fRnz29UpoZ
Name 3-Benzyl-2-oxo-2H-chromen-4-yl 3-iodobenzoate
Comments Computed using HOSE algorithm
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Exact Mass 482.001503959 u
Formula C23H15IO4
InChI InChI=1S/C23H15IO4/c24-17-10-6-9-16(14-17)22(25)28-21-18-11-4-5-12-20(18)27-23(26)19(21)13-15-7-2-1-3-8-15/h1-12,14H,13H2
InChIKey CEZZOWPIPKDQOV-UHFFFAOYSA-N
Molecular Weight 482.273 g/mol
SMILES C1(=C(C2=CC=CC=C2OC1=O)OC(C1=CC(I)=CC=C1)=O)CC=1C=CC=CC1