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Quinoline, 1-[4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-1-oxobutyl]-1,2,3,4-tetrahydro-
SpectraBase Compound ID 7yrBmlapzpF
InChI InChI=1S/C18H22N4O3/c1-13-18(22(24)25)14(2)21(19-13)12-6-10-17(23)20-11-5-8-15-7-3-4-9-16(15)20/h3-4,7,9H,5-6,8,10-12H2,1-2H3
InChIKey HKKCOMHFYDBTDB-UHFFFAOYSA-N
Mol Weight 342.4 g/mol
Molecular Formula C18H22N4O3
Exact Mass 342.169191 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AVg5vvv8XRC
Name Quinoline, 1-[4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-1-oxobutyl]-1,2,3,4-tetrahydro-
Alternate Name(s) 1-(3,4-dihydro-2H-quinolin-1-yl)-4-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-butanone 1-(3,4-dihydro-2H-quinolin-1-yl)-4-(3,5-dimethyl-4-nitropyrazol-1-yl)butan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22N4O3
InChI InChI=1S/C18H22N4O3/c1-13-18(22(24)25)14(2)21(19-13)12-6-10-17(23)20-11-5-8-15-7-3-4-9-16(15)20/h3-4,7,9H,5-6,8,10-12H2,1-2H3
InChIKey HKKCOMHFYDBTDB-UHFFFAOYSA-N
Molecular Weight 342.399 g/mol
SMILES C(=O)(N1CCCc2c1cccc2)CCC[n]1nc(c(c1C)N(=O)=O)C
SPLASH splash10-03e9-5960000000-03f08fa22451d8bc437f
Source of Spectrum IY-2-4797-0
Wiley ID 1655953