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2-Amino-5-(3-propionyl-benzyl)-benzonitrile
SpectraBase Compound ID DUxwDm551vQ
InChI InChI=1S/C17H16N2O/c1-2-17(20)14-5-3-4-12(9-14)8-13-6-7-16(19)15(10-13)11-18/h3-7,9-10H,2,8,19H2,1H3
InChIKey QHOJAPAXNOEJTA-UHFFFAOYSA-N
Mol Weight 264.33 g/mol
Molecular Formula C17H16N2O
Exact Mass 264.126263 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L5bQjX8lGnN
Name 2-Amino-5-(3-propionyl-benzyl)-benzonitrile
Alternate Name(s) 2-Amino-5-(3-propionylbenzyl)benzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16N2O
InChI InChI=1S/C17H16N2O/c1-2-17(20)14-5-3-4-12(9-14)8-13-6-7-16(19)15(10-13)11-18/h3-7,9-10H,2,8,19H2,1H3
InChIKey QHOJAPAXNOEJTA-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol8009013
Molecular Weight 264.328 g/mol
SMILES Nc1ccc(cc1C#N)Cc1cccc(c1)C(=O)CC
SPLASH splash10-01p9-0190000000-8991a61db46a8f308658
Source of Spectrum A1-10-2765/SM7-3e
Wiley ID 1759585