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3,3,6-TRIMETHYL-4,5-HEPTADIEN-2-ONE
SpectraBase Compound ID 1xTnNjDBlVP
InChI InChI=1S/C10H16O/c1-8(2)6-7-10(4,5)9(3)11/h7H,1-5H3
InChIKey MMLSXKDAXYUEEL-UHFFFAOYSA-N
Mol Weight 152.24 g/mol
Molecular Formula C10H16O
Exact Mass 152.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fqhk3IpCqpw
Name 4,5-Heptadien-2-one, 3,3,6-trimethyl-
CAS Registry Number 81250-41-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H16O
InChI InChI=1S/C10H16O/c1-8(2)6-7-10(4,5)9(3)11/h7H,1-5H3
InChIKey MMLSXKDAXYUEEL-UHFFFAOYSA-N
Molecular Weight 152.237 g/mol
SMILES CC(C=C=C(C)C)(C(=O)C)C
SPLASH splash10-000i-9500000000-0f6b3ccffcd44adc4deb
Synonyms 3,3,6-Trimethyl-4,5-heptadien-2-one 3,3,6-trimethyl-2-hepta-4,5-dienone 3,3,6-trimethylhepta-4,5-dien-2-one
Wiley ID 1488406