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1-{4-[(2,4-Dichlorophenyl)diazenyl]-5-hydroxy-3-methyl-1H-pyrazol-1-yl}-2-(naphthalen-2-yloxy)ethanone
SpectraBase Compound ID 7mlTswxyI2a
InChI InChI=1S/C22H16Cl2N4O3/c1-13-21(26-25-19-9-7-16(23)11-18(19)24)22(30)28(27-13)20(29)12-31-17-8-6-14-4-2-3-5-15(14)10-17/h2-11,30H,12H2,1H3/b26-25+
InChIKey XLVMZHFALGLKDZ-OCEACIFDSA-N
Mol Weight 455.3 g/mol
Molecular Formula C22H16Cl2N4O3
Exact Mass 454.059946 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B27G2nQPTd3
Name 1-{4-[(2,4-Dichlorophenyl)diazenyl]-5-hydroxy-3-methyl-1H-pyrazol-1-yl}-2-(naphthalen-2-yloxy)ethanone
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H16Cl2N4O3
InChI InChI=1S/C22H16Cl2N4O3/c1-13-21(26-25-19-9-7-16(23)11-18(19)24)22(30)28(27-13)20(29)12-31-17-8-6-14-4-2-3-5-15(14)10-17/h2-11,30H,12H2,1H3/b26-25+
InChIKey XLVMZHFALGLKDZ-OCEACIFDSA-N
Molecular Weight 455.301 g/mol
SMILES Oc1[n](nc(C)c1\N=N\c1c(cc(cc1)Cl)Cl)C(COc1cc2ccccc2cc1)=O
SPLASH splash10-03di-0900200000-6de3d5def381595b44e3
Source of Spectrum E1-57-1350-6b
Wiley ID 1661775