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3-Octene-2,6-dione, 5,5,7-trimethyl-, (E)-
SpectraBase Compound ID HTMO1u3uIxJ
InChI InChI=1S/C11H18O2/c1-8(2)10(13)11(4,5)7-6-9(3)12/h6-8H,1-5H3/b7-6+
InChIKey AWLUACLHRJHIRJ-VOTSOKGWSA-N
Mol Weight 182.26 g/mol
Molecular Formula C11H18O2
Exact Mass 182.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 18KM8dETUWL
Name 3-Octene-2,6-dione, 5,5,7-trimethyl-, (E)-
CAS Registry Number 77142-73-5
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O2
InChI InChI=1S/C11H18O2/c1-8(2)10(13)11(4,5)7-6-9(3)12/h6-8H,1-5H3/b7-6+
InChIKey AWLUACLHRJHIRJ-VOTSOKGWSA-N
Molecular Weight 182.263 g/mol
SMILES C(=O)(\C=C\C(C(C(C)C)=O)(C)C)C
SPLASH splash10-01ox-9300000000-b9be3500954a69fedfdf
Synonyms (3E)-5,5,7-Trimethyl-3-octene-2,6-dione (E)-5,5,7-trimethyl-3-octene-2,6-dione (E)-5,5,7-trimethyloct-3-ene-2,6-dione
Wiley ID 1487968