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3-(p-Chlorobenzoyl)-6-methoxy-2-methylindole-1-butyric acid, methyl ester

View entire compound with spectra: 2 NMR

3-(p-Chlorobenzoyl)-6-methoxy-2-methylindole-1-butyric acid, methyl ester
SpectraBase Compound ID JQksuF5ihP8
InChI InChI=1S/C22H22ClNO4/c1-14-21(22(26)15-6-8-16(23)9-7-15)18-11-10-17(27-2)13-19(18)24(14)12-4-5-20(25)28-3/h6-11,13H,4-5,12H2,1-3H3
InChIKey AVQGBNUGNSYUOF-UHFFFAOYSA-N
Mol Weight 399.87 g/mol
Molecular Formula C22H22ClNO4
Exact Mass 399.123736 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E08FiNZeNVb
Name 3-(p-Chlorobenzoyl)-6-methoxy-2-methylindole-1-butyric acid, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 399.123735888 u
Formula C22H22ClNO4
InChI InChI=1S/C22H22ClNO4/c1-14-21(22(26)15-6-8-16(23)9-7-15)18-11-10-17(27-2)13-19(18)24(14)12-4-5-20(25)28-3/h6-11,13H,4-5,12H2,1-3H3
InChIKey AVQGBNUGNSYUOF-UHFFFAOYSA-N
Molecular Weight 399.874 g/mol
SMILES C=12C=CC(=CC1N(C(=C2C(C=1C=CC(=CC1)Cl)=O)C)CCCC(OC)=O)OC