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Heptanoic acid, 2-methyl-, methyl ester
SpectraBase Compound ID 6So0z8hCYkX
InChI InChI=1S/C9H18O2/c1-4-5-6-7-8(2)9(10)11-3/h8H,4-7H2,1-3H3
InChIKey FUZYFWJHBYRPIP-UHFFFAOYSA-N
Mol Weight 158.24 g/mol
Molecular Formula C9H18O2
Exact Mass 158.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LWbsQu2aXSp
Name Heptanoic acid, 2-methyl-, methyl ester
CAS Registry Number 51209-78-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H18O2
InChI InChI=1S/C9H18O2/c1-4-5-6-7-8(2)9(10)11-3/h8H,4-7H2,1-3H3
InChIKey FUZYFWJHBYRPIP-UHFFFAOYSA-N
Molecular Weight 158.241 g/mol
SMILES C(=O)(C(CCCCC)C)OC
SPLASH splash10-000i-9000000000-8ef610ceffa7442ae08d
Source of Spectrum IC-277-0-0
Synonyms Methyl 2-Methylheptanoate 2-Methylenanthic acid methyl ester 2-Methylheptanoic acid methyl ester Methyl ester of 2-methylheptanoic acid
Wiley ID 1155388