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Pentanoic acid <3-methyl-, ethyl-> ester
SpectraBase Compound ID ClP4yK7Quv0
InChI InChI=1S/C8H16O2/c1-4-7(3)6-8(9)10-5-2/h7H,4-6H2,1-3H3
InChIKey TXAWGHYFBQBVNK-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 o7yF6rToHi
Name Pentanoic acid <3-methyl-, ethyl-> ester
CAS Registry Number 5870-68-8
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/c1-4-7(3)6-8(9)10-5-2/h7H,4-6H2,1-3H3
InChIKey TXAWGHYFBQBVNK-UHFFFAOYSA-N
Molecular Weight 144.214 g/mol
Number of Peaks 50
RI1 953
RI2 628
SMILES CCC(CC(OCC)=O)C
SPLASH splash10-01w4-9000000000-5520a8972503baf675d0
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 Pentanoic acid, 3-methyl-, ethyl ester
Wiley ID LM_FFNSC3_1384