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(2E,5E)-5,6,7,7-TETRAMETHYLOCTA-2,5-DIEN-4-ONE
SpectraBase Compound ID 9ti3sI2LVnu
InChI InChI=1S/C12H20O/c1-7-8-11(13)9(2)10(3)12(4,5)6/h7-8H,1-6H3/b8-7+,10-9+
InChIKey KXMQJBRDJIHRIR-XBLVEGMJSA-N
Mol Weight 180.29 g/mol
Molecular Formula C12H20O
Exact Mass 180.151415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 22z9NqqfWA8
Name 5,6,7,7-Tetramethylocta-2,5-dien-4-one
Alternate Name(s) (2E,5E)-5,6,7,7-tetramethyl-4-octa-2,5-dienone (2E,5E)-5,6,7,7-tetramethylocta-2,5-dien-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O
InChI InChI=1S/C12H20O/c1-7-8-11(13)9(2)10(3)12(4,5)6/h7-8H,1-6H3/b8-7+,10-9+
InChIKey KXMQJBRDJIHRIR-XBLVEGMJSA-N
Molecular Weight 180.291 g/mol
SMILES C(\C(=C\(C(C)(C)C)C)C)(\C=C\C)=O
SPLASH splash10-066r-8900000000-7aa46d395eaaa7d3e3f8
Source of Spectrum K1-2001-2368-16
Wiley ID 846474