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3-([4-(Benzylamino)-6-(4-nitroanilino)-1,3,5-triazin-2-yl]hydrazono)-2-indolinone

View entire compound with spectra: 1 NMR, and 2 MS (GC)

3-([4-(Benzylamino)-6-(4-nitroanilino)-1,3,5-triazin-2-yl]hydrazono)-2-indolinone
SpectraBase Compound ID CGJBmcFY6ha
InChI InChI=1S/C24H19N9O3/c34-21-20(18-8-4-5-9-19(18)27-21)31-32-24-29-22(25-14-15-6-2-1-3-7-15)28-23(30-24)26-16-10-12-17(13-11-16)33(35)36/h1-13H,14H2,(H,27,31,34)(H3,25,26,28,29,30,32)
InChIKey IQFXBDNCSSRFNJ-UHFFFAOYSA-N
Mol Weight 481.48 g/mol
Molecular Formula C24H19N9O3
Exact Mass 481.161086 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2U2qPzZvO13
Name 3-([4-(Benzylamino)-6-(4-nitroanilino)-1,3,5-triazin-2-yl]hydrazono)-2-indolinone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 481.161085505 u
Formula C24H19N9O3
InChI InChI=1S/C24H19N9O3/c34-21-20(18-8-4-5-9-19(18)27-21)31-32-24-29-22(25-14-15-6-2-1-3-7-15)28-23(30-24)26-16-10-12-17(13-11-16)33(35)36/h1-13H,14H2,(H,27,31,34)(H3,25,26,28,29,30,32)
InChIKey IQFXBDNCSSRFNJ-UHFFFAOYSA-N
Molecular Weight 481.476 g/mol
SMILES C1(=NC(=NC(=N1)NCC1=CC=CC=C1)NC1=CC=C(C=C1)N(=O)=O)N\N=C\1C2=C(C=CC=C2)NC1=O