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2,5-Heptanedione, 3,3,6-trimethyl-

View entire compound with spectra: 2 MS (GC)

2,5-Heptanedione, 3,3,6-trimethyl-
SpectraBase Compound ID G0B1FDDCtW8
InChI InChI=1S/C10H18O2/c1-7(2)9(12)6-10(4,5)8(3)11/h7H,6H2,1-5H3
InChIKey LIDVGVHMQULMLH-UHFFFAOYSA-N
Mol Weight 170.25 g/mol
Molecular Formula C10H18O2
Exact Mass 170.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9YnAeDHwdFx
Name 2,5-Heptanedione, 3,3,6-trimethyl-
Alternate Name(s) 3,3,6-Trimethyl-2,5-heptanedione 3,3,6-trimethylheptane-2,5-dione
CAS Registry Number 51513-40-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H18O2
InChI InChI=1S/C10H18O2/c1-7(2)9(12)6-10(4,5)8(3)11/h7H,6H2,1-5H3
InChIKey LIDVGVHMQULMLH-UHFFFAOYSA-N
Molecular Weight 170.252 g/mol
SMILES CC(C)C(=O)CC(C(C)=O)(C)C
SPLASH splash10-002f-9400000000-5519a726c9a692031618
Wiley ID 1488913