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ISOVALERIC ACID, PENTYL ESTER
SpectraBase Compound ID LmnluLLh2Zn
InChI InChI=1S/C10H20O2/c1-4-5-6-7-12-10(11)8-9(2)3/h9H,4-8H2,1-3H3
InChIKey QURFFFCYNQXLCU-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 AHZYIG8Kh90
Name Pentyl isovalerate
CAS Registry Number 25415-62-7
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 172.146329882 u
Formula C10H20O2
InChI InChI=1S/C10H20O2/c1-4-5-6-7-12-10(11)8-9(2)3/h9H,4-8H2,1-3H3
InChIKey QURFFFCYNQXLCU-UHFFFAOYSA-N
Molecular Weight 172.268 g/mol
Number of Peaks 50
RI1 1143
RI2 822
SMILES CCCCCOC(=O)CC(C)C
SPLASH splash10-059f-9100000000-a630ff49aa2024cefd70
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 Butanoic acid, 3-methyl-, pentyl ester
Wiley ID LM_FFNSC3_2026