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Methyl (E)-2-n-butyl-6-n-propylstyryl ketone

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Methyl (E)-2-n-butyl-6-n-propylstyryl ketone
SpectraBase Compound ID 53pTkOx1Tmz
InChI InChI=1S/C17H24O/c1-4-6-9-16-11-7-10-15(8-5-2)17(16)13-12-14(3)18/h7,10-13H,4-6,8-9H2,1-3H3/b13-12+
InChIKey LILUVJKEERJHKK-OUKQBFOZSA-N
Mol Weight 244.38 g/mol
Molecular Formula C17H24O
Exact Mass 244.182715 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AvyA9VeLmvC
Name Methyl (E)-2-N-butyl-6-N-propylstyryl ketone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 244.182715392 u
Formula C17H24O
InChI InChI=1S/C17H24O/c1-4-6-9-16-11-7-10-15(8-5-2)17(16)13-12-14(3)18/h7,10-13H,4-6,8-9H2,1-3H3/b13-12+
InChIKey LILUVJKEERJHKK-OUKQBFOZSA-N
Molecular Weight 244.378 g/mol
SMILES C1(\C=C\C(=O)C)=C(C=CC=C1CCC)CCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.835187