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Methyl 2,6-dimethyloctanoate
SpectraBase Compound ID HmFtYNrtsil
InChI InChI=1S/C11H22O2/c1-5-9(2)7-6-8-10(3)11(12)13-4/h9-10H,5-8H2,1-4H3
InChIKey BGIGQIAAMYGYGF-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 HUEvcVEXfmY
Name Octanoic acid, 2,6-dimethyl-, methyl ester
Alternate Name(s) Methyl 2,6-dimethyloctanoate 2,6-Dimethylcaprylic acid methyl ester 2,6-Dimethyloctanoic acid methyl ester
CAS Registry Number 54798-85-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H22O2
InChI InChI=1S/C11H22O2/c1-5-9(2)7-6-8-10(3)11(12)13-4/h9-10H,5-8H2,1-4H3
InChIKey BGIGQIAAMYGYGF-UHFFFAOYSA-N
Molecular Weight 186.295 g/mol
SMILES C(C(CCCC(CC)C)C)(OC)=O
SPLASH splash10-000i-9200000000-1f889aa540d3bc9c675d
Source of Spectrum T-67-2254-0
Wiley ID 19860