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2-propenamide, 2-(acetylamino)-N-[1-formyl-2-(1H-indol-3-yl)ethyl]-3-phenyl-, (2E)-
SpectraBase Compound ID 361J0BqL1d2
InChI InChI=1S/C22H21N3O3/c1-15(27)24-21(11-16-7-3-2-4-8-16)22(28)25-18(14-26)12-17-13-23-20-10-6-5-9-19(17)20/h2-11,13-14,18,23H,12H2,1H3,(H,24,27)(H,25,28)/b21-11+
InChIKey RSZRNBZUOIPQJX-SRZZPIQSSA-N
Mol Weight 375.43 g/mol
Molecular Formula C22H21N3O3
Exact Mass 375.158292 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4qNlM0i3I4X
Name 2-Propenamide, 2-(acetylamino)-N-[1-formyl-2-(1H-indol-3-yl)ethyl]-3-phenyl-, (2E)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 375.158291545 u
Formula C22H21N3O3
InChI InChI=1S/C22H21N3O3/c1-15(27)24-21(11-16-7-3-2-4-8-16)22(28)25-18(14-26)12-17-13-23-20-10-6-5-9-19(17)20/h2-11,13-14,18,23H,12H2,1H3,(H,24,27)(H,25,28)/b21-11+
InChIKey RSZRNBZUOIPQJX-SRZZPIQSSA-N
Molecular Weight 375.428 g/mol
SMILES N(C(\C(NC(=O)C)=C\C1=CC=CC=C1)=O)C(CC1=CNC2=C1C=CC=C2)C=O