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Dodecan-3,7-dione

View entire compound with spectra: 1 MS (GC)

Dodecan-3,7-dione
SpectraBase Compound ID GkjdUsbkrRt
InChI InChI=1S/C12H22O2/c1-3-5-6-8-12(14)10-7-9-11(13)4-2/h3-10H2,1-2H3
InChIKey HONIPMHHGBZLAS-UHFFFAOYSA-N
Mol Weight 198.31 g/mol
Molecular Formula C12H22O2
Exact Mass 198.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5bHjGjsqWvL
Name Dodecan-3,7-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O2
InChI InChI=1S/C12H22O2/c1-3-5-6-8-12(14)10-7-9-11(13)4-2/h3-10H2,1-2H3
InChIKey HONIPMHHGBZLAS-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cbic.201000481
Molecular Weight 198.306 g/mol
SMILES CCC(CCCC(CCCCC)=O)=O
SPLASH splash10-052f-9100000000-295c4ed290e559ab660d
Source of Spectrum CBC-12-155/SM4-50
Synonyms Dodecane-3,7-dione
Wiley ID 1786672