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Ethyl 2-[2-(3-nitrophenyl)-4,5,6,7-tetrahydro-1H-indol-1-yl]propanoate
SpectraBase Compound ID 9hNBg5Cu5IC
InChI InChI=1S/C19H22N2O4/c1-3-25-19(22)13(2)20-17-10-5-4-7-15(17)12-18(20)14-8-6-9-16(11-14)21(23)24/h6,8-9,11-13H,3-5,7,10H2,1-2H3
InChIKey OSBQKOIRZYQAJE-UHFFFAOYSA-N
Mol Weight 342.4 g/mol
Molecular Formula C19H22N2O4
Exact Mass 342.157957 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 32JUe6QAJdx
Name Ethyl 2-[2-(3-nitrophenyl)-4,5,6,7-tetrahydro-1H-indol-1-yl]propanoate
Comments Computed using HOSE algorithm
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Exact Mass 342.157957192 u
Formula C19H22N2O4
InChI InChI=1S/C19H22N2O4/c1-3-25-19(22)13(2)20-17-10-5-4-7-15(17)12-18(20)14-8-6-9-16(11-14)21(23)24/h6,8-9,11-13H,3-5,7,10H2,1-2H3
InChIKey OSBQKOIRZYQAJE-UHFFFAOYSA-N
Molecular Weight 342.395 g/mol
SMILES C1CCC2=C(C1)C=C(N2C(C)C(OCC)=O)C1=CC=CC(=C1)N(=O)=O