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5-Amino-3-[(Z)-2-(1,3-benzodioxol-5-yl)-1-cyano-vinyl]-1-phenyl-pyrazole-4-carbonitrile
SpectraBase Compound ID K3PUY3yOml4
InChI InChI=1S/C20H13N5O2/c21-10-14(8-13-6-7-17-18(9-13)27-12-26-17)19-16(11-22)20(23)25(24-19)15-4-2-1-3-5-15/h1-9H,12,23H2/b14-8+
InChIKey HIEBYJHCKUXTQE-RIYZIHGNSA-N
Mol Weight 355.36 g/mol
Molecular Formula C20H13N5O2
Exact Mass 355.106925 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JDJPMdBOeOu
Name 5-Amino-3-[(Z)-2-(1,3-benzodioxol-5-yl)-1-cyano-vinyl]-1-phenyl-pyrazole-4-carbonitrile
Alternate Name(s) 5-Amino-3-[(Z)-2-(1,3-benzodioxol-5-yl)-1-cyanoethenyl]-1-phenyl-4-pyrazolecarbonitrile 5-Amino-3-[(Z)-2-(1,3-benzodioxol-5-yl)-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile 5-Azanyl-3-[(Z)-2-(1,3-benzodioxol-5-yl)-1-cyano-ethenyl]-1-phenyl-pyrazole-4-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H13N5O2
InChI InChI=1S/C20H13N5O2/c21-10-14(8-13-6-7-17-18(9-13)27-12-26-17)19-16(11-22)20(23)25(24-19)15-4-2-1-3-5-15/h1-9H,12,23H2/b14-8+
InChIKey HIEBYJHCKUXTQE-RIYZIHGNSA-N
Molecular Weight 355.357 g/mol
SMILES Nc1[n](-c2ccccc2)nc(c1C#N)\C(=C\c1cc2OCOc2cc1)C#N
SPLASH splash10-0pdi-9735000000-aa9ec65b185b70a2046d
Wiley ID 1453086