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(E)-5-Amino-1-(((4??-chlorophenyl)imino)(phenyl)methyl)-3-methyl-1H-pyrazole-4-carbonitrile
SpectraBase Compound ID Bpv54JwPZQm
InChI InChI=1S/C18H14ClN5/c1-12-16(11-20)17(21)24(23-12)18(13-5-3-2-4-6-13)22-15-9-7-14(19)8-10-15/h2-10H,21H2,1H3/b22-18+
InChIKey OEDVNRAAJIWQGE-RELWKKBWSA-N
Mol Weight 335.8 g/mol
Molecular Formula C18H14ClN5
Exact Mass 335.093773 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jn0sGE3yPWu
Name (E)-5-Amino-1-(((4??-chlorophenyl)imino)(phenyl)methyl)-3-methyl-1H-pyrazole-4-carbonitrile
Appearance Pale yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H14ClN5
InChI InChI=1S/C18H14ClN5/c1-12-16(11-20)17(21)24(23-12)18(13-5-3-2-4-6-13)22-15-9-7-14(19)8-10-15/h2-10H,21H2,1H3/b22-18+
InChIKey OEDVNRAAJIWQGE-RELWKKBWSA-N
Instrument Name Finnigan Mat 8430
Ionization Type EI
Literature Reference DOI 10.24820/ark.5550190.p009.877
Molecular Weight 335.798 g/mol
SMILES Nc1[n](\C(=N\c2ccc(cc2)Cl)c2ccccc2)nc(c1C#N)C
SPLASH splash10-0fb9-0697000000-1901b2e0a416561edc1c
Source of Spectrum ARK-2016-101-3m
Wiley ID 1840820