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(2-Fluorophenyl)methyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]acetate
SpectraBase Compound ID I6NOXiAj2NO
InChI InChI=1S/C26H21ClFNO4/c1-16-21(14-25(30)33-15-18-5-3-4-6-23(18)28)22-13-20(32-2)11-12-24(22)29(16)26(31)17-7-9-19(27)10-8-17/h3-13H,14-15H2,1-2H3
InChIKey SQNZCGJOVDFXQL-UHFFFAOYSA-N
Mol Weight 465.91 g/mol
Molecular Formula C26H21ClFNO4
Exact Mass 465.114314 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JVVDBGkz3pK
Name (2-Fluorophenyl)methyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]acetate
Comments Computed using HOSE algorithm
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Exact Mass 465.114314019 u
Formula C26H21ClFNO4
InChI InChI=1S/C26H21ClFNO4/c1-16-21(14-25(30)33-15-18-5-3-4-6-23(18)28)22-13-20(32-2)11-12-24(22)29(16)26(31)17-7-9-19(27)10-8-17/h3-13H,14-15H2,1-2H3
InChIKey SQNZCGJOVDFXQL-UHFFFAOYSA-N
Molecular Weight 465.908 g/mol
SMILES C=1C=CC(COC(CC2=C(N(C3=C2C=C(C=C3)OC)C(C2=CC=C(C=C2)Cl)=O)C)=O)=C(F)C1