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Piperazine, 1-[4-[1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethoxy]butyl]-4-methyl-
SpectraBase Compound ID IltrvvMZCoM
InChI InChI=1S/C19H27Cl2N5O/c1-24-7-9-25(10-8-24)6-2-3-11-27-19(13-26-15-22-14-23-26)17-5-4-16(20)12-18(17)21/h4-5,12,14-15,19H,2-3,6-11,13H2,1H3
InChIKey MKIDXLLYNDVEBH-UHFFFAOYSA-N
Mol Weight 412.37 g/mol
Molecular Formula C19H27Cl2N5O
Exact Mass 411.159266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DjQcVrEXvPB
Name Piperazine, 1-[4-[1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethoxy]butyl]-4-methyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 411.159265908 u
Formula C19H27Cl2N5O
InChI InChI=1S/C19H27Cl2N5O/c1-24-7-9-25(10-8-24)6-2-3-11-27-19(13-26-15-22-14-23-26)17-5-4-16(20)12-18(17)21/h4-5,12,14-15,19H,2-3,6-11,13H2,1H3
InChIKey MKIDXLLYNDVEBH-UHFFFAOYSA-N
Molecular Weight 412.365 g/mol
SMILES C1(=C(C=C(C=C1)Cl)Cl)C(OCCCCN1CCN(CC1)C)CN1C=NC=N1