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(E)-4-[1-Benzyl-4-butyl-1H-1,2,3-triazol-5-yl]but-3-en-2-one
SpectraBase Compound ID G6LP1KyWIgv
InChI InChI=1S/C17H21N3O/c1-3-4-10-16-17(12-11-14(2)21)20(19-18-16)13-15-8-6-5-7-9-15/h5-9,11-12H,3-4,10,13H2,1-2H3/b12-11+
InChIKey KURSBNVWMXKVHM-VAWYXSNFSA-N
Mol Weight 283.38 g/mol
Molecular Formula C17H21N3O
Exact Mass 283.168462 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9or0OIUj729
Name (E)-4-[1-Benzyl-4-butyl-1H-1,2,3-triazol-5-yl]but-3-en-2-one
Alternate Name(s) (3E)-4-(1-benzyl-4-butyl-1H-1,2,3-triazol-5-yl)-3-buten-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21N3O
InChI InChI=1S/C17H21N3O/c1-3-4-10-16-17(12-11-14(2)21)20(19-18-16)13-15-8-6-5-7-9-15/h5-9,11-12H,3-4,10,13H2,1-2H3/b12-11+
InChIKey KURSBNVWMXKVHM-VAWYXSNFSA-N
Molecular Weight 283.375 g/mol
SMILES CC(\C=C\c1[n](nnc1CCCC)Cc1ccccc1)=O
SPLASH splash10-0006-9000000000-88069e9b33897cbf393f
Source of Spectrum F4-0-2736-5
Wiley ID 1618807