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2-Ethylhexanoic acid
SpectraBase Compound ID AyoYRxncx6Y
InChI InChI=1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
InChIKey OBETXYAYXDNJHR-UHFFFAOYSA-N
Mol Weight 144.21 g/mol
Molecular Formula C8H16O2
Exact Mass 144.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6lY1IXySHNN
Name Hexanoic acid <2-ethyl->
Source of Sample SAFC Cat.no. W515302
CAS Registry Number 149-57-5
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 144.115029753 u
Formula C8H16O2
InChI InChI=1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
InChIKey OBETXYAYXDNJHR-UHFFFAOYSA-N
Molecular Weight 144.214 g/mol
Number of Peaks 50
RI1 1181
RI2 859
RI3 1336
RI4 1295
SMILES OC(C(CCCC)CC)=O
SPLASH splash10-0079-9000000000-923dc8175e747427c4e1
Sample Comments RI1: measured on SLB-5ms (Hydro) RI2: measured on SLB-5ms (FAMEs) RI3: measured on Supelcowax-10 (FAMEs) RI4: measured on Supelcowax-10 (FAEEs) RI5: measured on Equity-1 (Hydro)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms Hexanoic acid, 2-ethyl-
Wiley ID LM_FFNSC3_83