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2-[2-(2,4-Dichlorophenyl)-2-hydroxyethyl]-5-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one

View entire compound with spectra: 1 MS (GC)

2-[2-(2,4-Dichlorophenyl)-2-hydroxyethyl]-5-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
SpectraBase Compound ID JpsMcnl1Yr6
InChI InChI=1S/C27H26Cl2FN5O2/c28-19-6-11-23(24(29)16-19)25(36)17-34-27(37)35(22-4-2-1-3-5-22)26(31-34)18-32-12-14-33(15-13-32)21-9-7-20(30)8-10-21/h1-11,16,25,36H,12-15,17-18H2
InChIKey IAWJLCQSJYOBSC-UHFFFAOYSA-N
Mol Weight 542.44 g/mol
Molecular Formula C27H26Cl2FN5O2
Exact Mass 541.144759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DqK2jk0Q4Og
Name 2-[2-(2,4-Dichlorophenyl)-2-hydroxyethyl]-5-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H26Cl2FN5O2
InChI InChI=1S/C27H26Cl2FN5O2/c28-19-6-11-23(24(29)16-19)25(36)17-34-27(37)35(22-4-2-1-3-5-22)26(31-34)18-32-12-14-33(15-13-32)21-9-7-20(30)8-10-21/h1-11,16,25,36H,12-15,17-18H2
InChIKey IAWJLCQSJYOBSC-UHFFFAOYSA-N
Instrument Name Quattro GC-MS
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3336
Molecular Weight 542.442 g/mol
SMILES OC(CN1N=C(CN2CCN(c3ccc(cc3)F)CC2)N(C1=O)c1ccccc1)c1c(cc(cc1)Cl)Cl
SPLASH splash10-0udl-0200960000-6387577899e4cd333d2e
Source of Spectrum Y-55-2753-9b
Wiley ID 1878950