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(Z)-1-Phenyl-4-(1H-pyrazol-1-yl)but-3-en-2-yl acetate
SpectraBase Compound ID HCx58pYmZvV
InChI InChI=1S/C15H16N2O2/c1-13(18)19-15(8-11-17-10-5-9-16-17)12-14-6-3-2-4-7-14/h2-11,15H,12H2,1H3/b11-8-
InChIKey QESKEPODNJKELU-FLIBITNWSA-N
Mol Weight 256.3 g/mol
Molecular Formula C15H16N2O2
Exact Mass 256.121178 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8wd2lCXYMLP
Name (Z)-1-Phenyl-4-(1H-pyrazol-1-yl)but-3-en-2-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16N2O2
InChI InChI=1S/C15H16N2O2/c1-13(18)19-15(8-11-17-10-5-9-16-17)12-14-6-3-2-4-7-14/h2-11,15H,12H2,1H3/b11-8-
InChIKey QESKEPODNJKELU-FLIBITNWSA-N
Literature Reference DOI 10.1021/jo401867e
Molecular Weight 256.305 g/mol
SMILES c1ccc(CC(OC(=O)C)\C=C/[n]2nccc2)cc1
SPLASH splash10-0a4i-1090000000-fc8788ae10b86152e5fd
Source of Spectrum J-78-11833-3t'
Synonyms Acetic acid [(Z)-1-phenyl-4-(1-pyrazolyl)but-3-en-2-yl] ester [(Z)-1-phenyl-4-pyrazol-1-ylbut-3-en-2-yl] acetate [(Z)-1-benzyl-3-pyrazol-1-yl-allyl] acetate [(Z)-1-phenyl-4-pyrazol-1-yl-but-3-en-2-yl] ethanoate
Wiley ID 1747296