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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 HKYDx0LZ36I
Name Pentanoic acid, 3-methyl-, ethyl ester
CAS Registry Number 5870-68-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
SMILES C(C(OCC)=O)C(CC)C
SPLASH splash10-01yc-9000000000-c96a0d3bd8c28f106a12
Source of Spectrum AA-0-799-2
Synonyms Valeric acid, 3-methyl-, ethyl ester Ethyl beta-methylvalerate 3-Methylpentanoic acid ethyl ester Ethyl 3-methylpentanoate 3-Methylvaleric acid ethyl ester Ethyl .beta.-methylvalerate Ethyl 3-methylvalerate 3-Methylpentanoic acid, ethyl ester
Wiley ID 8662