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benzamide, N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-3-methyl-4-nitro-
SpectraBase Compound ID IJmjwDFqGsc
InChI InChI=1S/C20H21N3O4/c1-12-10-14(4-7-19(12)23(25)26)20(24)21-9-8-16-13(2)22-18-6-5-15(27-3)11-17(16)18/h4-7,10-11,22H,8-9H2,1-3H3,(H,21,24)
InChIKey PDLPZJZYFPVOLE-UHFFFAOYSA-N
Mol Weight 367.41 g/mol
Molecular Formula C20H21N3O4
Exact Mass 367.153206 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EdZgrA1ICvd
Name Benzamide, N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-3-methyl-4-nitro-
Comments Computed using HOSE algorithm
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Exact Mass 367.153206164 u
Formula C20H21N3O4
InChI InChI=1S/C20H21N3O4/c1-12-10-14(4-7-19(12)23(25)26)20(24)21-9-8-16-13(2)22-18-6-5-15(27-3)11-17(16)18/h4-7,10-11,22H,8-9H2,1-3H3,(H,21,24)
InChIKey PDLPZJZYFPVOLE-UHFFFAOYSA-N
Molecular Weight 367.405 g/mol
SMILES COC1=CC=2C(CCNC(C3=CC(C)=C(N(=O)=O)C=C3)=O)=C(NC2C=C1)C