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2-Heptanone, 6-methyl-5-methylene-
SpectraBase Compound ID 8eIyMZ3IYrr
InChI InChI=1S/C9H16O/c1-7(2)8(3)5-6-9(4)10/h7H,3,5-6H2,1-2,4H3
InChIKey RNUYQXXGCJJIPA-UHFFFAOYSA-N
Mol Weight 140.23 g/mol
Molecular Formula C9H16O
Exact Mass 140.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3IzcpZtYjHA
Name 2-Heptanone, 6-methyl-5-methylene-
CAS Registry Number 498-51-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16O
InChI InChI=1S/C9H16O/c1-7(2)8(3)5-6-9(4)10/h7H,3,5-6H2,1-2,4H3
InChIKey RNUYQXXGCJJIPA-UHFFFAOYSA-N
Molecular Weight 140.226 g/mol
SMILES C(C(C(C)C)=C)CC(C)=O
SPLASH splash10-0006-9000000000-4ae75302c5948e689a64
Source of Spectrum H-61-988-0
Synonyms 5-Isopropyl-5-hexen-2-one 5-isopropylhex-5-en-2-one 6-Methyl-5-methylene-2-heptanone 6-Methyl-5-methylene-heptan-2-one 6-Methyl-5-methylidene-heptan-2-one Thujaketone
Wiley ID 1139623