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4-Tert-butyl-N-[(Z)-1-[2-(2-methyl-1H-indol-3-yl)ethylcarbamoyl]-2-(3-nitrophenyl)vinyl]benzamide
SpectraBase Compound ID HMlSyQqPFjj
InChI InChI=1S/C31H32N4O4/c1-20-25(26-10-5-6-11-27(26)33-20)16-17-32-30(37)28(19-21-8-7-9-24(18-21)35(38)39)34-29(36)22-12-14-23(15-13-22)31(2,3)4/h5-15,18-19,33H,16-17H2,1-4H3,(H,32,37)(H,34,36)/b28-19-
InChIKey NAUWDASXAUIVJQ-USHMODERSA-N
Mol Weight 524.6 g/mol
Molecular Formula C31H32N4O4
Exact Mass 524.242356 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JMYT3knxDvl
Name 4-Tert-butyl-N-[(Z)-1-[2-(2-methyl-1H-indol-3-yl)ethylcarbamoyl]-2-(3-nitrophenyl)vinyl]benzamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 524.242355522 u
Formula C31H32N4O4
InChI InChI=1S/C31H32N4O4/c1-20-25(26-10-5-6-11-27(26)33-20)16-17-32-30(37)28(19-21-8-7-9-24(18-21)35(38)39)34-29(36)22-12-14-23(15-13-22)31(2,3)4/h5-15,18-19,33H,16-17H2,1-4H3,(H,32,37)(H,34,36)/b28-19-
InChIKey NAUWDASXAUIVJQ-USHMODERSA-N
Molecular Weight 524.621 g/mol
SMILES C=1C=CC=2C(=C(NC2C1)C)CCNC(\C(=C\C1=CC(N(=O)=O)=CC=C1)NC(C=1C=CC(C(C)(C)C)=CC1)=O)=O