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Diethylmalonic acid
SpectraBase Compound ID 2BUPAbtEtB8
InChI InChI=1S/C7H12O4/c1-3-7(4-2,5(8)9)6(10)11/h3-4H2,1-2H3,(H,8,9)(H,10,11)
InChIKey LTMRRSWNXVJMBA-UHFFFAOYSA-N
Mol Weight 160.17 g/mol
Molecular Formula C7H12O4
Exact Mass 160.073559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4caAdgiuoa
Name 2,2-Diethylmalonic acid
CAS Registry Number 510-20-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12O4
InChI InChI=1S/C7H12O4/c1-3-7(4-2,5(8)9)6(10)11/h3-4H2,1-2H3,(H,8,9)(H,10,11)
InChIKey LTMRRSWNXVJMBA-UHFFFAOYSA-N
Molecular Weight 160.169 g/mol
SMILES OC(C(C(=O)O)(CC)CC)=O
SPLASH splash10-0lyn-9400000000-6016e18b2711b09b902b
Source of Spectrum NP-1-9339-0
Synonyms 2,2-Diethylpropanedioic acid 3,3-Pentanedicarboxylic acid Diethylmalonic acid Malonic acid, diethyl- Propanedioic acid, diethyl- EINECS 208-111-8 NSC 1986
Wiley ID 1099962