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2-(p-Cyanophenyl)-4-(diethylamino)-3-methylvaleronitrile isomer
SpectraBase Compound ID FjUZVJFPTSs
InChI InChI=1S/C17H23N3/c1-5-20(6-2)14(4)13(3)17(12-19)16-9-7-15(11-18)8-10-16/h7-10,13-14,17H,5-6H2,1-4H3
InChIKey PKENXRQXKXKWPC-UHFFFAOYSA-N
Mol Weight 269.39 g/mol
Molecular Formula C17H23N3
Exact Mass 269.189198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1xXTW6N8rJE
Name 2-(p-Cyanophenyl)-4-(diethylamino)-3-methylvaleronitrile isomer
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H23N3
InChI InChI=1S/C17H23N3/c1-5-20(6-2)14(4)13(3)17(12-19)16-9-7-15(11-18)8-10-16/h7-10,13-14,17H,5-6H2,1-4H3
InChIKey PKENXRQXKXKWPC-UHFFFAOYSA-N
Molecular Weight 269.392 g/mol
SMILES C(C(C(C(C)N(CC)CC)C)c1ccc(cc1)C#N)#N
SPLASH splash10-0udi-1900000000-a777c0a16e327656f352
Source of Spectrum E1-45-1200-6
Synonyms 4-[1-cyano-3-(diethylamino)-2-methyl-butyl]benzenecarbonitrile 4-[1-cyano-3-(diethylamino)-2-methyl-butyl]benzonitrile 4-[1-cyano-3-(diethylamino)-2-methylbutyl]benzonitrile
Wiley ID 1554009