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4-[[2,4-Dichloro-6-[(4-nitrobenzoyl)oxy]phenyl]imino]-2,6-dimethyl-2,5-cyclohexadien-1-one
SpectraBase Compound ID BPNhJEMlLJD
InChI InChI=1S/C21H14Cl2N2O5/c1-11-7-15(8-12(2)20(11)26)24-19-17(23)9-14(22)10-18(19)30-21(27)13-3-5-16(6-4-13)25(28)29/h3-10H,1-2H3
InChIKey ULHWLCHDKUUTPN-UHFFFAOYSA-N
Mol Weight 445.26 g/mol
Molecular Formula C21H14Cl2N2O5
Exact Mass 444.027977 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1sgSNAvA0ND
Name 4-[[2,4-Dichloro-6-[(4-nitrobenzoyl)oxy]phenyl]imino]-2,6-dimethyl-2,5-cyclohexadien-1-one
CAS Registry Number 127064-89-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H14Cl2N2O5
InChI InChI=1S/C21H14Cl2N2O5/c1-11-7-15(8-12(2)20(11)26)24-19-17(23)9-14(22)10-18(19)30-21(27)13-3-5-16(6-4-13)25(28)29/h3-10H,1-2H3
InChIKey ULHWLCHDKUUTPN-UHFFFAOYSA-N
Molecular Weight 445.258 g/mol
SMILES c1(c(OC(c2ccc(N(=O)=O)cc2)=O)cc(cc1Cl)Cl)N=C1C=C(C)C(C(=C1)C)=O
SPLASH splash10-0udi-1920100000-eed28a28b74c1472288e
Source of Spectrum J-55-4042-4
Synonyms 3,5-Dichloro-2-[(3,5-dimethyl-4-oxo-2,5-cyclohexadien-1-ylidene)amino]phenyl 4-nitrobenzoate
Wiley ID 1385895