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Heptanoic acid, 2-ethyl-
SpectraBase Compound ID K2im2thRscR
InChI InChI=1S/C9H18O2/c1-3-5-6-7-8(4-2)9(10)11/h8H,3-7H2,1-2H3,(H,10,11)
InChIKey DYWSVUBJGFTOQC-UHFFFAOYSA-N
Mol Weight 158.24 g/mol
Molecular Formula C9H18O2
Exact Mass 158.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HWqFgb0hZ0n
Name Heptanoic acid, 2-ethyl-
CAS Registry Number 3274-29-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H18O2
InChI InChI=1S/C9H18O2/c1-3-5-6-7-8(4-2)9(10)11/h8H,3-7H2,1-2H3,(H,10,11)
InChIKey DYWSVUBJGFTOQC-UHFFFAOYSA-N
Molecular Weight 158.241 g/mol
SMILES OC(C(CC)CCCCC)=O
SPLASH splash10-0079-9000000000-08a316de88f558763d00
Source of Spectrum AD-0-4016-0
Synonyms 2-Ethylheptanoic acid 2-Ethylenanthic acid 3-Octanecarboxylic acid EINECS 221-902-2
Wiley ID 12247