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3-acetyl-2-methyl-1-(4-methylphenyl)-1H-indol-5-yl 2-(acetyloxy)benzoate
SpectraBase Compound ID D2bglemanlo
InChI InChI=1S/C27H23NO5/c1-16-9-11-20(12-10-16)28-17(2)26(18(3)29)23-15-21(13-14-24(23)28)33-27(31)22-7-5-6-8-25(22)32-19(4)30/h5-15H,1-4H3
InChIKey FIJRAIWSTKWCFM-UHFFFAOYSA-N
Mol Weight 441.48 g/mol
Molecular Formula C27H23NO5
Exact Mass 441.157623 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1X29CtpPaXw
Name 3-Acetyl-2-methyl-1-(4-methylphenyl)-1H-indol-5-yl 2-(acetyloxy)benzoate
Comments Computed using HOSE algorithm
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Exact Mass 441.157622840 u
Formula C27H23NO5
InChI InChI=1S/C27H23NO5/c1-16-9-11-20(12-10-16)28-17(2)26(18(3)29)23-15-21(13-14-24(23)28)33-27(31)22-7-5-6-8-25(22)32-19(4)30/h5-15H,1-4H3
InChIKey FIJRAIWSTKWCFM-UHFFFAOYSA-N
Molecular Weight 441.483 g/mol
SMILES C1=CC=C(C(OC=2C=CC=3N(C(=C(C(=O)C)C3C2)C)C=2C=CC(=CC2)C)=O)C(OC(=O)C)=C1