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Methyl 1-[(anilinocarbonyl)amino]-2-methyl-4,5,6,7-tetrahydro-1H-indole-3-carboxylate
SpectraBase Compound ID BwCPOUdHWEM
InChI InChI=1S/C18H21N3O3/c1-12-16(17(22)24-2)14-10-6-7-11-15(14)21(12)20-18(23)19-13-8-4-3-5-9-13/h3-5,8-9H,6-7,10-11H2,1-2H3,(H2,19,20,23)
InChIKey BKNCARITIUIVCO-UHFFFAOYSA-N
Mol Weight 327.38 g/mol
Molecular Formula C18H21N3O3
Exact Mass 327.158292 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GRxgLEITded
Name Methyl 1-[(anilinocarbonyl)amino]-2-methyl-4,5,6,7-tetrahydro-1H-indole-3-carboxylate
Comments Computed using HOSE algorithm
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Exact Mass 327.158291545 u
Formula C18H21N3O3
InChI InChI=1S/C18H21N3O3/c1-12-16(17(22)24-2)14-10-6-7-11-15(14)21(12)20-18(23)19-13-8-4-3-5-9-13/h3-5,8-9H,6-7,10-11H2,1-2H3,(H2,19,20,23)
InChIKey BKNCARITIUIVCO-UHFFFAOYSA-N
Molecular Weight 327.384 g/mol
SMILES C=1(N(C2=C(C1C(=O)OC)CCCC2)NC(NC1=CC=CC=C1)=O)C