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2,7,7-Trimethyl-1,3,8-nonatrien-5-one
SpectraBase Compound ID JyHuKbc7Py4
InChI InChI=1S/C12H18O/c1-6-12(4,5)9-11(13)8-7-10(2)3/h6-8H,1-2,9H2,3-5H3/b8-7+
InChIKey CEHRCXMFXJRJQD-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 FhLZo8b6A1l
Name 2,7,7-Trimethyl-1,3,8-nonatrien-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O
InChI InChI=1S/C12H18O/c1-6-12(4,5)9-11(13)8-7-10(2)3/h6-8H,1-2,9H2,3-5H3/b8-7+
InChIKey CEHRCXMFXJRJQD-BQYQJAHWSA-N
Molecular Weight 178.275 g/mol
SMILES C(\C=C\C(=C)C)(=O)CC(C=C)(C)C
SPLASH splash10-014j-9200000000-7aba3e7ab0d88ced4216
Source of Spectrum J-56-2833-7
Synonyms (3E)-2,7,7-trimethyl-1,3,8-nonatrien-5-one
Wiley ID 1174780