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1,2,4-Cyclopentanetrione, 3-(1-methylbutyl)-
SpectraBase Compound ID BzNVadPdAsQ
InChI InChI=1S/C10H14O3/c1-3-4-6(2)9-7(11)5-8(12)10(9)13/h6,9H,3-5H2,1-2H3
InChIKey GMDUPIMLAPXKHQ-UHFFFAOYSA-N
Mol Weight 182.22 g/mol
Molecular Formula C10H14O3
Exact Mass 182.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CtlMwp2JDVt
Name 1,2,4-Cyclopentanetrione, 3-(1-methylbutyl)-
CAS Registry Number 54644-19-8
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H14O3
InChI InChI=1S/C10H14O3/c1-3-4-6(2)9-7(11)5-8(12)10(9)13/h6,9H,3-5H2,1-2H3
InChIKey GMDUPIMLAPXKHQ-UHFFFAOYSA-N
Molecular Weight 182.219 g/mol
SMILES C(C(C)C1C(=O)C(=O)CC1=O)CC
SPLASH splash10-004i-3900000000-d133261150cbcecb83cb
Source of Spectrum O-6-683-3
Synonyms 3-(1-Methylbutyl)-1,2,4-cyclopentanetrione 3-(1-Methylbutyl)cyclopentane-1,2,4-trione 3-Pentan-2-ylcyclopentane-1,2,4-trione
Wiley ID 18695