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(E)-3-(4-Chlorophenyl)-1-{4-[(4-phenylphthalazin-1-yl)amino]-phenyl}prop-2-en-1-one
SpectraBase Compound ID 1uG47HwfpeW
InChI InChI=1S/C29H20ClN3O/c30-23-15-10-20(11-16-23)12-19-27(34)21-13-17-24(18-14-21)31-29-26-9-5-4-8-25(26)28(32-33-29)22-6-2-1-3-7-22/h1-19H,(H,31,33)/b19-12+
InChIKey XHQDKYOWVFEAEX-XDHOZWIPSA-N
Mol Weight 461.95 g/mol
Molecular Formula C29H20ClN3O
Exact Mass 461.12949 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9s0XhFZV3cT
Name (E)-3-(4-Chlorophenyl)-1-{4-[(4-phenylphthalazin-1-yl)amino]-phenyl}prop-2-en-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H20ClN3O
InChI InChI=1S/C29H20ClN3O/c30-23-15-10-20(11-16-23)12-19-27(34)21-13-17-24(18-14-21)31-29-26-9-5-4-8-25(26)28(32-33-29)22-6-2-1-3-7-22/h1-19H,(H,31,33)/b19-12+
InChIKey XHQDKYOWVFEAEX-XDHOZWIPSA-N
Instrument Name Thermo Scientific GCMS
Ionization Type EI
Literature Reference DOI 10.1002/ardp.202100201
Molecular Weight 461.952 g/mol
SMILES N(c1c2ccccc2c(nn1)-c1ccccc1)c1ccc(cc1)C(=O)\C=C\c1ccc(cc1)Cl
SPLASH splash10-03di-0000900000-32e2b9960b5d32ee1f76
Source of Spectrum APC-354-SM10-5c
Wiley ID 1851399