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4,9,11-Trimethyl-6-isopropyl-2-dodecanone
SpectraBase Compound ID ACgjZLLTsOa
InChI InChI=1S/C18H36O/c1-13(2)10-15(5)8-9-18(14(3)4)12-16(6)11-17(7)19/h13-16,18H,8-12H2,1-7H3
InChIKey RAAPZBBQRLXDKT-UHFFFAOYSA-N
Mol Weight 268.5 g/mol
Molecular Formula C18H36O
Exact Mass 268.276616 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fxd0eLrWkX9
Name 4,9,11-Trimethyl-6-isopropyl-2-dodecanone
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 268.276615778 u
Formula C18H36O
InChI InChI=1S/C18H36O/c1-13(2)10-15(5)8-9-18(14(3)4)12-16(6)11-17(7)19/h13-16,18H,8-12H2,1-7H3
InChIKey RAAPZBBQRLXDKT-UHFFFAOYSA-N
Instrument Name Thermo Fisher Trace GC DSQ II
Ionization Type EI
Literature Reference DOI 10.1002/jssc.201600951
Molecular Weight 268.485 g/mol
Optical Rotation [a]D25 = -7.5 (c = 0.9, CHCl3)
Quality 591
Reported Formula C18H36O
SMILES CC(CC(CCC(CC(CC(C)=O)C)C(C)C)C)C
SPLASH splash10-059i-9200000000-6a159effe77363c7e67b
Source of Spectrum SEP-40-815-2 (DOI: 10.1002/jssc.201600951)
Wiley ID 1902650