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2-Hexanone, 3,3-dimethyl-
SpectraBase Compound ID IPIHYImShSB
InChI InChI=1S/C8H16O/c1-5-6-8(3,4)7(2)9/h5-6H2,1-4H3
InChIKey LJZPWSZYYTUCDP-UHFFFAOYSA-N
Mol Weight 128.21 g/mol
Molecular Formula C8H16O
Exact Mass 128.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FXR6FNtzix7
Name 2-Hexanone, 3,3-dimethyl-
Alternate Name(s) 3,3-Dimethyl-2-hexanone 3,3-Dimethylhexan-2-one
CAS Registry Number 26118-38-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H16O
InChI InChI=1S/C8H16O/c1-5-6-8(3,4)7(2)9/h5-6H2,1-4H3
InChIKey LJZPWSZYYTUCDP-UHFFFAOYSA-N
Molecular Weight 128.215 g/mol
SMILES C(C(C)=O)(CCC)(C)C
SPLASH splash10-0006-9000000000-f9573b0fd13577819c42
Source of Spectrum EP-4031-0-0
Wiley ID 1131621