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2,6-Dimethylheptanoic acid methyl ester
SpectraBase Compound ID 4ookTneHSIm
InChI InChI=1S/C10H20O2/c1-8(2)6-5-7-9(3)10(11)12-4/h8-9H,5-7H2,1-4H3
InChIKey YZXFZYNUDQFVIU-UHFFFAOYSA-N
Mol Weight 172.27 g/mol
Molecular Formula C10H20O2
Exact Mass 172.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID By8nfAA2vkh
Name 2,6-Dimethylheptanoic acid methyl ester
Alternate Name(s) Methyl 2,6-dimethylheptanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H20O2
InChI InChI=1S/C10H20O2/c1-8(2)6-5-7-9(3)10(11)12-4/h8-9H,5-7H2,1-4H3
InChIKey YZXFZYNUDQFVIU-UHFFFAOYSA-N
Literature Reference DOI 10.1002/rcm.5040
Molecular Weight 172.268 g/mol
SMILES C(C(CCCC(C)C)C)(=O)OC
SPLASH splash10-052r-9200000000-ab46b22abc3f0d3f1a9b
Source of Spectrum RCM-25-1744-Fig.3(E)
Wiley ID 1814704