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Heptanoic acid, 2,5-diethyl-
SpectraBase Compound ID IOrkX2a6oE6
InChI InChI=1S/C11H22O2/c1-4-9(5-2)7-8-10(6-3)11(12)13/h9-10H,4-8H2,1-3H3,(H,12,13)
InChIKey XQWMZYYVMUUGRU-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 Rk0HTcn8qV
Name Heptanoic acid, 2,5-diethyl-
CAS Registry Number 54774-84-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H22O2
InChI InChI=1S/C11H22O2/c1-4-9(5-2)7-8-10(6-3)11(12)13/h9-10H,4-8H2,1-3H3,(H,12,13)
InChIKey XQWMZYYVMUUGRU-UHFFFAOYSA-N
Molecular Weight 186.295 g/mol
SMILES OC(C(CCC(CC)CC)CC)=O
SPLASH splash10-01bi-9200000000-20a14094ab9966c5e5ef
Source of Spectrum AD-0-4017-0
Synonyms 2,5-Diethylheptanoic acid 2,5-Diethylenanthic acid
Wiley ID 19853