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(E,E)-6,12-Dimethyl-9-isopropyl-trideca-5,10,12-tien-2-one

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

(E,E)-6,12-Dimethyl-9-isopropyl-trideca-5,10,12-tien-2-one
SpectraBase Compound ID CvUmllS2L41
InChI InChI=1S/C18H30O/c1-14(2)10-12-18(15(3)4)13-11-16(5)8-7-9-17(6)19/h8,10,12,15,18H,1,7,9,11,13H2,2-6H3/b12-10+,16-8+
InChIKey HXPJEKSKJRYDGV-HVLRKUJGSA-N
Mol Weight 262.44 g/mol
Molecular Formula C18H30O
Exact Mass 262.229666 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID H34kKZg0s54
Name (E,E)-6,12-Dimethyl-9-isopropyl-trideca-5,10,12-tien-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 262.229665585 u
Formula C18H30O
InChI InChI=1S/C18H30O/c1-14(2)10-12-18(15(3)4)13-11-16(5)8-7-9-17(6)19/h8,10,12,15,18H,1,7,9,11,13H2,2-6H3/b12-10+,16-8+
InChIKey HXPJEKSKJRYDGV-HVLRKUJGSA-N
Molecular Weight 262.437 g/mol
SMILES CC(CC\C=C\(CCC(\C=C\C(=C)C)C(C)C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.961388