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(E)-5-Amino-1-(((2??,6??-dimethylphenyl)imino)(phenyl)methyl)-3-ethyl-1H-pyrazole-4- carbonitrile
SpectraBase Compound ID 5yCkOfaAxZX
InChI InChI=1S/C21H21N5/c1-4-18-17(13-22)20(23)26(25-18)21(16-11-6-5-7-12-16)24-19-14(2)9-8-10-15(19)3/h5-12H,4,23H2,1-3H3/b24-21+
InChIKey XFYDNKJAJGQQBK-DARPEHSRSA-N
Mol Weight 343.43 g/mol
Molecular Formula C21H21N5
Exact Mass 343.179696 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4t0Ihlst5qs
Name (E)-5-Amino-1-(((2??,6??-dimethylphenyl)imino)(phenyl)methyl)-3-ethyl-1H-pyrazole-4- carbonitrile
Appearance Pale yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21N5
InChI InChI=1S/C21H21N5/c1-4-18-17(13-22)20(23)26(25-18)21(16-11-6-5-7-12-16)24-19-14(2)9-8-10-15(19)3/h5-12H,4,23H2,1-3H3/b24-21+
InChIKey XFYDNKJAJGQQBK-DARPEHSRSA-N
Instrument Name Finnigan Mat 8430
Ionization Type EI
Literature Reference DOI 10.24820/ark.5550190.p009.877
Molecular Weight 343.434 g/mol
SMILES Nc1[n](\C(=N\c2c(cccc2C)C)c2ccccc2)nc(c1C#N)CC
SPLASH splash10-0a4i-0392000000-2a4a3ad7c3cc76fcc8c5
Source of Spectrum ARK-2016-100-3g
Wiley ID 1840814