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1H-Indole-3-acetamide, 1-[(2-chlorophenyl)methyl]-N-(1,1-dimethylethyl)-.alpha.-oxo-
SpectraBase Compound ID 3XObav5VHhN
InChI InChI=1S/C21H21ClN2O2/c1-21(2,3)23-20(26)19(25)16-13-24(18-11-7-5-9-15(16)18)12-14-8-4-6-10-17(14)22/h4-11,13H,12H2,1-3H3,(H,23,26)
InChIKey BESSDUJCPQEUGP-UHFFFAOYSA-N
Mol Weight 368.86 g/mol
Molecular Formula C21H21ClN2O2
Exact Mass 368.129156 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8W8XIIXERuq
Name 1H-Indole-3-acetamide, 1-[(2-chlorophenyl)methyl]-N-(1,1-dimethylethyl)-.alpha.-oxo-
Comments Computed using HOSE algorithm
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Exact Mass 368.129155622 u
Formula C21H21ClN2O2
InChI InChI=1S/C21H21ClN2O2/c1-21(2,3)23-20(26)19(25)16-13-24(18-11-7-5-9-15(16)18)12-14-8-4-6-10-17(14)22/h4-11,13H,12H2,1-3H3,(H,23,26)
InChIKey BESSDUJCPQEUGP-UHFFFAOYSA-N
Molecular Weight 368.864 g/mol
SMILES C1(=CN(CC=2C(Cl)=CC=CC2)C=2C1=CC=CC2)C(C(NC(C)(C)C)=O)=O