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Heptanoic acid, 2,6-dimethyl-, methyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

Heptanoic acid, 2,6-dimethyl-, 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 9gKgRhBSeaD
Name Heptanoic acid, 2,6-dimethyl-, methyl ester
CAS Registry Number 33315-72-9
Copyright Copyright © 2020-2025 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
Molecular Weight 172.268 g/mol
SMILES C(CCCC(C(OC)=O)C)(C)C
SPLASH splash10-000i-9100000000-e44f7fe5b86e77764996
Source of Spectrum EP-8021-0-0
Synonyms Methyl 2,6-dimethylheptanoate 2,6-Dimethylenanthic acid methyl ester 2,6-Dimethylheptanoic acid methyl ester
Wiley ID 1168994