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3-Acetyl-2,6-heptanedione
SpectraBase Compound ID J9alPXEAwhJ
InChI InChI=1S/C9H14O3/c1-6(10)4-5-9(7(2)11)8(3)12/h9H,4-5H2,1-3H3
InChIKey RQZJIXZNJBCGQC-UHFFFAOYSA-N
Mol Weight 170.21 g/mol
Molecular Formula C9H14O3
Exact Mass 170.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BXMqJzKwkdz
Name 3-Acetyl-2,6-heptanedione
Alternate Name(s) 2,6-Heptanedione, 3-acetyl- 3-Acetylheptane-2,6-dione 3-Ethanoylheptane-2,6-dione EINECS 249-517-5
CAS Registry Number 29214-57-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14O3
InChI InChI=1S/C9H14O3/c1-6(10)4-5-9(7(2)11)8(3)12/h9H,4-5H2,1-3H3
InChIKey RQZJIXZNJBCGQC-UHFFFAOYSA-N
Molecular Weight 170.208 g/mol
SMILES C(CCC(=O)C)(C(=O)C)C(=O)C
SPLASH splash10-000i-0900000000-e321c60090a1065b11e6
Source of Spectrum KC-0-3145-3
Wiley ID 823666