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1H-pyrazol-5-ol, 3-ethoxy-1-(4-nitrophenyl)-, benzoate (ester)
SpectraBase Compound ID 66sEmHwwwhw
InChI InChI=1S/C18H15N3O5/c1-2-25-16-12-17(26-18(22)13-6-4-3-5-7-13)20(19-16)14-8-10-15(11-9-14)21(23)24/h3-12H,2H2,1H3
InChIKey FBHMIJRBRGDHDL-UHFFFAOYSA-N
Mol Weight 353.33 g/mol
Molecular Formula C18H15N3O5
Exact Mass 353.101171 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DzluBQXscUO
Name 1H-pyrazol-5-ol, 3-ethoxy-1-(4-nitrophenyl)-, benzoate (ester)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H15N3O5
InChI InChI=1S/C18H15N3O5/c1-2-25-16-12-17(26-18(22)13-6-4-3-5-7-13)20(19-16)14-8-10-15(11-9-14)21(23)24/h3-12H,2H2,1H3
InChIKey FBHMIJRBRGDHDL-UHFFFAOYSA-N
Molecular Weight 353.334 g/mol
SMILES c1(ccccc1)C(Oc1cc(OCC)n[n]1-c1ccc(cc1)[N+]([O-])=O)=O
SPLASH splash10-0a4i-7904000000-f9a5e79bf8d5d30d3614
Source of Spectrum JX-2015-3-1141
Synonyms 3-Ethoxy-1-(4-nitrophenyl)-1H-pyrazol-5-yl benzoate Benzoic acid [5-ethoxy-2-(4-nitrophenyl)-3-pyrazolyl] ester [5-ethoxy-2-(4-nitrophenyl)pyrazol-3-yl] benzoate
Wiley ID 1724653