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2-(4-Nitrophenyl)-1-(1-phenylethyl)-4,5,6,7-tetrahydro-1H-indole

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2-(4-Nitrophenyl)-1-(1-phenylethyl)-4,5,6,7-tetrahydro-1H-indole
SpectraBase Compound ID 2fqgucMXMvm
InChI InChI=1S/C22H22N2O2/c1-16(17-7-3-2-4-8-17)23-21-10-6-5-9-19(21)15-22(23)18-11-13-20(14-12-18)24(25)26/h2-4,7-8,11-16H,5-6,9-10H2,1H3
InChIKey ANPWYBKJYIYYBM-UHFFFAOYSA-N
Mol Weight 346.43 g/mol
Molecular Formula C22H22N2O2
Exact Mass 346.168128 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BEmDFMoMLrX
Name 2-(4-Nitrophenyl)-1-(1-phenylethyl)-4,5,6,7-tetrahydro-1H-indole
Comments Computed using HOSE algorithm
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Exact Mass 346.168127954 u
Formula C22H22N2O2
InChI InChI=1S/C22H22N2O2/c1-16(17-7-3-2-4-8-17)23-21-10-6-5-9-19(21)15-22(23)18-11-13-20(14-12-18)24(25)26/h2-4,7-8,11-16H,5-6,9-10H2,1H3
InChIKey ANPWYBKJYIYYBM-UHFFFAOYSA-N
Molecular Weight 346.430 g/mol
SMILES C1C2=C(CCC1)C=C(N2C(C)C1=CC=CC=C1)C1=CC=C(C=C1)N(=O)=O