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2-Amino-4-(1,3-diphenyl-1H-pyrazol-4-yl)-5,6,7,8-tetrahydroquinolin-3-carbonitrile
SpectraBase Compound ID JjNGcWFanfd
InChI InChI=1S/C25H21N5/c26-15-20-23(19-13-7-8-14-22(19)28-25(20)27)21-16-30(18-11-5-2-6-12-18)29-24(21)17-9-3-1-4-10-17/h1-6,9-12,16H,7-8,13-14H2,(H2,27,28)
InChIKey NNAQZQFQFHMWLR-UHFFFAOYSA-N
Mol Weight 391.48 g/mol
Molecular Formula C25H21N5
Exact Mass 391.179696 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID iBrpUeONE
Name 2-Amino-4-(1,3-diphenyl-1H-pyrazol-4-yl)-5,6,7,8-tetrahydroquinolin-3-carbonitrile
Appearance Canary yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 391.179695696 u
Formula C25H21N5
InChI InChI=1S/C25H21N5/c26-15-20-23(19-13-7-8-14-22(19)28-25(20)27)21-16-30(18-11-5-2-6-12-18)29-24(21)17-9-3-1-4-10-17/h1-6,9-12,16H,7-8,13-14H2,(H2,27,28)
InChIKey NNAQZQFQFHMWLR-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/jhet.4423
Molecular Weight 391.478 g/mol
SMILES NC1=C(C(=C2C(=N1)CCCC2)C=1C(=NN(C1)C1=CC=CC=C1)C1=CC=CC=C1)C#N
SPLASH splash10-02t9-3009000000-5ddeafc313143de28734
Source of Spectrum Y-59-841-12e (DOI: 10.1002/jhet.4423)
Wiley ID 1892456