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1H-Indole-3-acetamide, 1-[(4-chlorophenyl)methyl]-.alpha.-oxo-N-(4-pyridinyl)-
SpectraBase Compound ID 9FKAFNmhF53
InChI InChI=1S/C22H16ClN3O2/c23-16-7-5-15(6-8-16)13-26-14-19(18-3-1-2-4-20(18)26)21(27)22(28)25-17-9-11-24-12-10-17/h1-12,14H,13H2,(H,24,25,28)
InChIKey SOLIIYNRSAWTSQ-UHFFFAOYSA-N
Mol Weight 389.84 g/mol
Molecular Formula C22H16ClN3O2
Exact Mass 389.093104 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID dzKDzCkv9K
Name 1H-Indole-3-acetamide, 1-[(4-chlorophenyl)methyl]-.alpha.-oxo-N-(4-pyridinyl)-
Comments Computed using HOSE algorithm
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Exact Mass 389.093104465 u
Formula C22H16ClN3O2
InChI InChI=1S/C22H16ClN3O2/c23-16-7-5-15(6-8-16)13-26-14-19(18-3-1-2-4-20(18)26)21(27)22(28)25-17-9-11-24-12-10-17/h1-12,14H,13H2,(H,24,25,28)
InChIKey SOLIIYNRSAWTSQ-UHFFFAOYSA-N
Molecular Weight 389.842 g/mol
SMILES C12=CC=CC=C2C(C(=O)C(NC2=CC=NC=C2)=O)=CN1CC1=CC=C(C=C1)Cl