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3,3-Dimethylhex-5-en-2-one
SpectraBase Compound ID 9GsTHMeQ7CX
InChI InChI=1S/C8H14O/c1-5-6-8(3,4)7(2)9/h5H,1,6H2,2-4H3
InChIKey AICKKCPBGSMRJG-UHFFFAOYSA-N
Mol Weight 126.2 g/mol
Molecular Formula C8H14O
Exact Mass 126.104465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2WaaRHMktM7
Name 5-Hexen-2-one, 3,3-dimethyl-
CAS Registry Number 26118-94-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H14O
InChI InChI=1S/C8H14O/c1-5-6-8(3,4)7(2)9/h5H,1,6H2,2-4H3
InChIKey AICKKCPBGSMRJG-UHFFFAOYSA-N
Molecular Weight 126.199 g/mol
SMILES C(C(=O)C)(CC=C)(C)C
SPLASH splash10-0a4l-9100000000-ff7a77f9d48f2052acb4
Source of Spectrum KC-1985-2105-45
Synonyms 3,3-Dimethyl-5-hexen-2-one 3,3-Dimethylhex-5-en-2-one
Wiley ID 1130280