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Heptanoic acid, 2-methyl-, ethyl ester
SpectraBase Compound ID 5ivVfO7eiZu
InChI InChI=1S/C10H20O2/c1-4-6-7-8-9(3)10(11)12-5-2/h9H,4-8H2,1-3H3
InChIKey GGJCZSUQNJRNNU-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 Ic69t3a9LN6
Name Heptanoic acid, 2-methyl-, ethyl ester
Alternate Name(s) 2-Methylenanthic acid ethyl ester 2-Methylheptanoic acid ethyl ester Ethyl 2-methylheptanoate AI3-19326 EINECS 253-527-5
CAS Registry Number 37492-26-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H20O2
InChI InChI=1S/C10H20O2/c1-4-6-7-8-9(3)10(11)12-5-2/h9H,4-8H2,1-3H3
InChIKey GGJCZSUQNJRNNU-UHFFFAOYSA-N
Molecular Weight 172.268 g/mol
SMILES C(C)OC(C(C)CCCCC)=O
SPLASH splash10-0udi-9500000000-ca455d3ef9f4dc32472b
Source of Spectrum N-22-424-7
Wiley ID 1168996