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3-ethyl-3-methylglutaric acid

View entire compound with spectra: 3 NMR, 1 FTIR, and 6 MS (GC)

3-ethyl-3-methylglutaric acid
SpectraBase Compound ID B6bYNX4RVaJ
InChI InChI=1S/C8H14O4/c1-3-8(2,4-6(9)10)5-7(11)12/h3-5H2,1-2H3,(H,9,10)(H,11,12)
InChIKey XAWFHZMTJUGGEE-UHFFFAOYSA-N
Mol Weight 174.2 g/mol
Molecular Formula C8H14O4
Exact Mass 174.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A9CF9k9D8cH
Name 3-Ethyl-3-methylpentanedioic acid
CAS Registry Number 5345-01-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H14O4
InChI InChI=1S/C8H14O4/c1-3-8(2,4-6(9)10)5-7(11)12/h3-5H2,1-2H3,(H,9,10)(H,11,12)
InChIKey XAWFHZMTJUGGEE-UHFFFAOYSA-N
Molecular Weight 174.196 g/mol
SMILES OC(CC(CC(=O)O)(C)CC)=O
SPLASH splash10-01dl-9200000000-803ebe072ccd4f067a9d
Source of Spectrum NP-2-6601-0
Synonyms .beta.-Methyl-.beta.-ethylglutaric acid 3-Ethyl-3-methyl-glutaric acid Pentanedioic acid, 3-ethyl-3-methyl- EINECS 226-294-2
Wiley ID 1101462