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1,3,8-Nonatrien-5-one, 2,6,6-trimethyl-, (E)-
SpectraBase Compound ID CBwPZkiu22a
InChI InChI=1S/C12H18O/c1-6-9-12(4,5)11(13)8-7-10(2)3/h6-8H,1-2,9H2,3-5H3/b8-7+
InChIKey QIZPJJBUYNSRJP-BQYQJAHWSA-N
Mol Weight 178.27 g/mol
Molecular Formula C12H18O
Exact Mass 178.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H8cfjcmnwBe
Name 1,3,8-Nonatrien-5-one, 2,6,6-trimethyl-, (E)-
Alternate Name(s) (3E)-2,6,6-trimethyl-1,3,8-nonatrien-5-one (E)-2,6,6-Trimethyl-1,3,8-nonatrien-5-one
CAS Registry Number 102146-78-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O
InChI InChI=1S/C12H18O/c1-6-9-12(4,5)11(13)8-7-10(2)3/h6-8H,1-2,9H2,3-5H3/b8-7+
InChIKey QIZPJJBUYNSRJP-BQYQJAHWSA-N
Molecular Weight 178.275 g/mol
SMILES C(\C=C\C(=C)C)(C(CC=C)(C)C)=O
SPLASH splash10-0002-9000000000-706412b86713438a05b0
Source of Spectrum H-68-1589-11
Wiley ID 1174708