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3-(3,7-dimethyloctyl)heptane-2,6-dione
SpectraBase Compound ID HJjONSPypsJ
InChI InChI=1S/C17H32O2/c1-13(2)7-6-8-14(3)9-11-17(16(5)19)12-10-15(4)18/h13-14,17H,6-12H2,1-5H3
InChIKey CETWOKCMJKICAJ-UHFFFAOYSA-N
Mol Weight 268.4 g/mol
Molecular Formula C17H32O2
Exact Mass 268.24023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IViEwl1Cvhb
Name 3-(3,7-dimethyloctyl)heptane-2,6-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H32O2
InChI InChI=1S/C17H32O2/c1-13(2)7-6-8-14(3)9-11-17(16(5)19)12-10-15(4)18/h13-14,17H,6-12H2,1-5H3
InChIKey CETWOKCMJKICAJ-UHFFFAOYSA-N
Instrument Name HP 6890-5973 or Agilent Technologies 7890A-5975C
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201900224
Molecular Weight 268.441 g/mol
Reported Formula C17H32O2
SMILES CC(CCCC(CCC(C(C)=O)CCC(C)=O)C)C
SPLASH splash10-002f-9300000000-3adb536b2069ae84ad46
Source of Spectrum U1-2019-2159-3
Wiley ID 1848582