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(E)-3-(pyridin-2-ylmethylene)octan-2-one
SpectraBase Compound ID 4gacIwDhiW3
InChI InChI=1S/C14H19NO/c1-3-4-5-8-13(12(2)16)11-14-9-6-7-10-15-14/h6-7,9-11H,3-5,8H2,1-2H3/b13-11+
InChIKey BOQCBNWKDMLEGV-ACCUITESSA-N
Mol Weight 217.31 g/mol
Molecular Formula C14H19NO
Exact Mass 217.146664 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IWRWYttpD3w
Name (E)-3-(pyridin-2-ylmethylene)octan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H19NO
InChI InChI=1S/C14H19NO/c1-3-4-5-8-13(12(2)16)11-14-9-6-7-10-15-14/h6-7,9-11H,3-5,8H2,1-2H3/b13-11+
InChIKey BOQCBNWKDMLEGV-ACCUITESSA-N
Ionization Type EI
Molecular Weight 217.312 g/mol
SMILES CC(\C(=C\c1ncccc1)CCCCC)=O
SPLASH splash10-01c0-1900000000-bb1c05f0383ded296a71
Source of Spectrum US20100111888A1
Wiley ID 1842204