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2,4-bis[4-Chloro-trans-styryl]-6-[3-diethylaminomethyl-4-hydroxyanilino]pyrimidine

View entire compound with spectra: 1 NMR

2,4-bis[4-Chloro-trans-styryl]-6-[3-diethylaminomethyl-4-hydroxyanilino]pyrimidine
SpectraBase Compound ID 2gboT4LrudV
InChI InChI=1S/C31H30Cl2N4O/c1-3-37(4-2)21-24-19-27(16-17-29(24)38)35-31-20-28(15-9-22-5-11-25(32)12-6-22)34-30(36-31)18-10-23-7-13-26(33)14-8-23/h5-20,38H,3-4,21H2,1-2H3,(H,34,35,36)/b15-9+,18-10+
InChIKey GHFCHEDYLHMHTO-HJSNDYAYSA-N
Mol Weight 545.51 g/mol
Molecular Formula C31H30Cl2N4O
Exact Mass 544.179667 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kk0U2axnC2p
Name 2,4-bis[4-Chloro-trans-styryl]-6-[3-diethylaminomethyl-4-hydroxyanilino]pyrimidine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 544.179667001 u
Formula C31H30Cl2N4O
InChI InChI=1S/C31H30Cl2N4O/c1-3-37(4-2)21-24-19-27(16-17-29(24)38)35-31-20-28(15-9-22-5-11-25(32)12-6-22)34-30(36-31)18-10-23-7-13-26(33)14-8-23/h5-20,38H,3-4,21H2,1-2H3,(H,34,35,36)/b15-9+,18-10+
InChIKey GHFCHEDYLHMHTO-HJSNDYAYSA-N
Molecular Weight 545.514 g/mol
SMILES C1=CC(=CC=C1\C=C\C1=CC(=NC(=N1)\C=C\C1=CC=C(C=C1)Cl)NC=1C=C(C(=CC1)O)CN(CC)CC)Cl