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2-(1-Methylpentyl)malonic acid
SpectraBase Compound ID 9cM217nYN6
InChI InChI=1S/C9H16O4/c1-3-4-5-6(2)7(8(10)11)9(12)13/h6-7H,3-5H2,1-2H3,(H,10,11)(H,12,13)
InChIKey IBZDAYGDBSLLGC-UHFFFAOYSA-N
Mol Weight 188.22 g/mol
Molecular Formula C9H16O4
Exact Mass 188.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KCGBXWwy3PR
Name 2-(1-Methylpentyl)malonic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16O4
InChI InChI=1S/C9H16O4/c1-3-4-5-6(2)7(8(10)11)9(12)13/h6-7H,3-5H2,1-2H3,(H,10,11)(H,12,13)
InChIKey IBZDAYGDBSLLGC-UHFFFAOYSA-N
Molecular Weight 188.223 g/mol
SMILES OC(C(C(=O)O)C(CCCC)C)=O
SPLASH splash10-0r7r-9600000000-3cbf7ac8f28e06fa2b18
Source of Spectrum KK-63-5934-5
Synonyms 2-(1-Methylpentyl)propanedioic acid 2-Hexan-2-ylpropanedioic acid
Wiley ID 1184379