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3,7-Undecadien-2-one, 6,6,10,10-tetramethyl-, (E,E)-

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

3,7-Undecadien-2-one, 6,6,10,10-tetramethyl-, (E,E)-
SpectraBase Compound ID 1ePLKvbHz2c
InChI InChI=1S/C15H26O/c1-13(16)9-7-11-15(5,6)12-8-10-14(2,3)4/h7-9,12H,10-11H2,1-6H3/b9-7+,12-8+
InChIKey ROCSNQVUUKRFRB-BRVZEXMBSA-N
Mol Weight 222.37 g/mol
Molecular Formula C15H26O
Exact Mass 222.198365 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID H2Jf5Txb95q
Name 3,7-Undecadien-2-one, 6,6,10,10-tetramethyl-, (E,E)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 222.198365456 u
Formula C15H26O
InChI InChI=1S/C15H26O/c1-13(16)9-7-11-15(5,6)12-8-10-14(2,3)4/h7-9,12H,10-11H2,1-6H3/b9-7+,12-8+
InChIKey ROCSNQVUUKRFRB-BRVZEXMBSA-N
Molecular Weight 222.372 g/mol
SMILES C(\C=C\CC(C)(C)C)(C\C=C\C(=O)C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.900534