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Pentanoic acid, 4-methyl-, pentyl ester
SpectraBase Compound ID CcGS6bmKcud
InChI InChI=1S/C11H22O2/c1-4-5-6-9-13-11(12)8-7-10(2)3/h10H,4-9H2,1-3H3
InChIKey ZOEZQOYTJSALQT-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 8qgiCHPqVtP
Name Pentanoic acid, 4-methyl-, pentyl ester
CAS Registry Number 25415-71-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H22O2
InChI InChI=1S/C11H22O2/c1-4-5-6-9-13-11(12)8-7-10(2)3/h10H,4-9H2,1-3H3
InChIKey ZOEZQOYTJSALQT-UHFFFAOYSA-N
Molecular Weight 186.295 g/mol
SMILES C(CCC(C)C)(=O)OCCCCC
SPLASH splash10-00r6-9200000000-175f6749a79a6a6532aa
Source of Spectrum JX-2015-6-4460
Synonyms 1-Pentyl isocaproate 4-Methylpentanoic acid pentyl ester Nor-pentyl isohexanoate Pentyl 4-methylpentanoate 4-Methylvaleric acid amyl ester Amyl isocaproate Valeric acid, 4-methyl-, pentyl ester
Wiley ID 1728854