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2,6-Dimethyl-4-heptanol, acetate
SpectraBase Compound ID IVHTKyyO6KP
InChI InChI=1S/C11H22O2/c1-8(2)6-11(7-9(3)4)13-10(5)12/h8-9,11H,6-7H2,1-5H3
InChIKey XLJDNKNPKUBQMX-UHFFFAOYSA-N
Mol Weight 186.29 g/mol
Molecular Formula C11H22O2
Exact Mass 186.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2oCsGeMgCcc
Name (1-isobutyl-3-methyl-butyl) acetate
CAS Registry Number 10250-45-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H22O2
InChI InChI=1S/C11H22O2/c1-8(2)6-11(7-9(3)4)13-10(5)12/h8-9,11H,6-7H2,1-5H3
InChIKey XLJDNKNPKUBQMX-UHFFFAOYSA-N
Molecular Weight 186.295 g/mol
SMILES C(OC(CC(C)C)CC(C)C)(=O)C
SPLASH splash10-0aou-9100000000-5469722e50f2f9fd42bc
Source of Spectrum LQ-1992-1345-0
Synonyms 2,6-Dimethylheptan-4-yl acetate 2,6-Dimethylheptan-4-yl ethanoate 2,6-Dimethylheptyl-4-acetate 4-Heptanol, 2,6-dimethyl-, acetate Acetic acid (1-isobutyl-3-methyl-butyl) ester Acetic acid 2,6-dimethylheptan-4-yl ester Diisobutylcarbinyl acetate
Wiley ID 1183156