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3,4,5-Trimethoxybenzaldehyde,N-(2-phenylethyl)-N-[3-(7-chloro-4-quinolylamino)butyl]hydrazone

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3,4,5-Trimethoxybenzaldehyde,N-(2-phenylethyl)-N-[3-(7-chloro-4-quinolylamino)butyl]hydrazone
SpectraBase Compound ID 9jyRmznWcrH
InChI InChI=1S/C31H35ClN4O3/c1-22(35-27-12-15-33-28-20-25(32)10-11-26(27)28)13-16-36(17-14-23-8-6-5-7-9-23)34-21-24-18-29(37-2)31(39-4)30(19-24)38-3/h5-12,15,18-22H,13-14,16-17H2,1-4H3,(H,33,35)/b34-21+
InChIKey BGLQTDHRHNFOBS-KEIPNQJHSA-N
Mol Weight 547.1 g/mol
Molecular Formula C31H35ClN4O3
Exact Mass 546.239769 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C0Dr6cgGICD
Name 3,4,5-Trimethoxybenzaldehyde,N-(2-phenylethyl)-N-[3-(7-chloro-4-quinolylamino)butyl]hydrazone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 546.239768700 u
Formula C31H35ClN4O3
InChI InChI=1S/C31H35ClN4O3/c1-22(35-27-12-15-33-28-20-25(32)10-11-26(27)28)13-16-36(17-14-23-8-6-5-7-9-23)34-21-24-18-29(37-2)31(39-4)30(19-24)38-3/h5-12,15,18-22H,13-14,16-17H2,1-4H3,(H,33,35)/b34-21+
InChIKey BGLQTDHRHNFOBS-KEIPNQJHSA-N
Molecular Weight 547.099 g/mol
SMILES C1=C(C=C2C(=C1)C(=CC=N2)NC(C)CCN(\N=C\C1=CC(=C(C(=C1)OC)OC)OC)CCC1=CC=CC=C1)Cl