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3,3-Dimethyl-2,4-pentanedione
SpectraBase Compound ID 4KSfCk2wwcK
InChI InChI=1S/C7H12O2/c1-5(8)7(3,4)6(2)9/h1-4H3
InChIKey SWGDHTSWHSSMLE-UHFFFAOYSA-N
Mol Weight 128.17 g/mol
Molecular Formula C7H12O2
Exact Mass 128.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 78qHwmHFEgd
Name 2,4-Pentanedione, 3,3-dimethyl-
Alternate Name(s) 3,3-Dimethyl-2,4-pentane dione 3,3-Dimethylacetylacetone 3,3-Dimethylpentane-2,4-dione Dimethylacetylacetone EINECS 221-551-5
CAS Registry Number 3142-58-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12O2
InChI InChI=1S/C7H12O2/c1-5(8)7(3,4)6(2)9/h1-4H3
InChIKey SWGDHTSWHSSMLE-UHFFFAOYSA-N
Molecular Weight 128.171 g/mol
SMILES CC(C(C)=O)(C)C(=O)C
SPLASH splash10-0076-9000000000-71a412f76c451e9bddc5
Source of Spectrum EK-1999-397-0
Wiley ID 1131390