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(E)-1-Acetyl-3-(2'-acetoxyphenyl)-4-(4"-nitrostyryl)-1H-pyrazole
SpectraBase Compound ID 8wXaf15AeBy
InChI InChI=1S/C21H17N3O5/c1-14(25)23-13-17(10-7-16-8-11-18(12-9-16)24(27)28)21(22-23)19-5-3-4-6-20(19)29-15(2)26/h3-13H,1-2H3/b10-7+
InChIKey RGCJATWBVLKRNB-JXMROGBWSA-N
Mol Weight 391.38 g/mol
Molecular Formula C21H17N3O5
Exact Mass 391.116821 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IeGm9s1B3es
Name (E)-1-Acetyl-3-(2'-acetoxyphenyl)-4-(4"-nitrostyryl)-1H-pyrazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H17N3O5
InChI InChI=1S/C21H17N3O5/c1-14(25)23-13-17(10-7-16-8-11-18(12-9-16)24(27)28)21(22-23)19-5-3-4-6-20(19)29-15(2)26/h3-13H,1-2H3/b10-7+
InChIKey RGCJATWBVLKRNB-JXMROGBWSA-N
Molecular Weight 391.383 g/mol
SMILES c1[n](nc(c1\C=C\c1ccc(N(=O)=O)cc1)-c1c(OC(=O)C)cccc1)C(=O)C
SPLASH splash10-0abd-0339000000-33d55afd57feae396f96
Source of Spectrum U1-2009-4474-7d
Synonyms Acetic acid [2-[1-acetyl-4-[(E)-2-(4-nitrophenyl)ethenyl]-3-pyrazolyl]phenyl] ester [2-[1-acetyl-4-[(E)-2-(4-nitrophenyl)ethenyl]pyrazol-3-yl]phenyl] acetate [2-[1-acetyl-4-[(E)-2-(4-nitrophenyl)vinyl]pyrazol-3-yl]phenyl] acetate [2-[1-ethanoyl-4-[(E)-2-(4-nitrophenyl)ethenyl]pyrazol-3-yl]phenyl] ethanoate
Wiley ID 1697068