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3,5-Heptanedione, 2,2,4,6,6-pentamethyl-
SpectraBase Compound ID K2vinWsxoUT
InChI InChI=1S/C12H22O2/c1-8(9(13)11(2,3)4)10(14)12(5,6)7/h8H,1-7H3
InChIKey WMZURKKTJQPBOJ-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 3s2MGDI8R73
Name 3,5-HEPTANEDIONE, 2,2,4,6,6-PENTAMETHYL-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H22O2
InChI InChI=1S/C12H22O2/c1-8(9(13)11(2,3)4)10(14)12(5,6)7/h8H,1-7H3
InChIKey WMZURKKTJQPBOJ-UHFFFAOYSA-N
Instrument Name 311A
Molecular Weight 198.1614
SMILES CC(C(C(C)C(C(C)(C)C)=O)=O)(C)C
SPLASH splash10-0a4i-9000000000-f71ffacdad5c01e62bf4
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany