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5-Cyanomethyl-3-(3,4-methylenedioxyphenyl)-1-phenylpyrazole
SpectraBase Compound ID 8xuyg99YfJe
InChI InChI=1S/C18H13N3O2/c19-9-8-15-11-16(20-21(15)14-4-2-1-3-5-14)13-6-7-17-18(10-13)23-12-22-17/h1-7,10-11H,8,12H2
InChIKey ILOZVVVQKHPKJA-UHFFFAOYSA-N
Mol Weight 303.32 g/mol
Molecular Formula C18H13N3O2
Exact Mass 303.100777 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IZ5Frmi5Jse
Name 5-Cyanomethyl-3-(3,4-methylenedioxyphenyl)-1-phenylpyrazole
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H13N3O2
InChI InChI=1S/C18H13N3O2/c19-9-8-15-11-16(20-21(15)14-4-2-1-3-5-14)13-6-7-17-18(10-13)23-12-22-17/h1-7,10-11H,8,12H2
InChIKey ILOZVVVQKHPKJA-UHFFFAOYSA-N
Molecular Weight 303.321 g/mol
SMILES c1(n[n](c(c1)CC#N)-c1ccccc1)-c1cc2c(cc1)OCO2
SPLASH splash10-0udi-0109000000-4f556180bd1862add643
Source of Spectrum Y1-41-365-19
Synonyms [3-(1,3-benzodioxol-5-yl)-1-phenyl-1H-pyrazol-5-yl]acetonitrile 2-(3-(benzo[d][1,3]dioxol-5-yl)-1-phenyl-1H-pyrazol-5-yl)acetonitrile
Wiley ID 1564933