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(E)-3-(3-methylbenzylidene)octan-2-one
SpectraBase Compound ID 3k2dCZLmmDY
InChI InChI=1S/C16H22O/c1-4-5-6-10-16(14(3)17)12-15-9-7-8-13(2)11-15/h7-9,11-12H,4-6,10H2,1-3H3/b16-12+
InChIKey MZCDHCKSIBEVDE-FOWTUZBSSA-N
Mol Weight 230.35 g/mol
Molecular Formula C16H22O
Exact Mass 230.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 53AzhCrIeG
Name (E)-3-(3-methylbenzylidene)octan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O
InChI InChI=1S/C16H22O/c1-4-5-6-10-16(14(3)17)12-15-9-7-8-13(2)11-15/h7-9,11-12H,4-6,10H2,1-3H3/b16-12+
InChIKey MZCDHCKSIBEVDE-FOWTUZBSSA-N
Ionization Type EI
Molecular Weight 230.351 g/mol
SMILES CC(\C(=C\c1cccc(c1)C)CCCCC)=O
SPLASH splash10-00kf-4940000000-fd95aa7d3a8da36902ab
Source of Spectrum US20100111888A1
Wiley ID 1842188