2,2-Dimethylglutaric acid

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Systematic / IUPAC Name: 2,2-Dimethylpentanedioic acid

ID: Reference128

Other Names: 2,2-Dimethylpentane-1,5-dioic acid

Formula: C7H12O4

Spectral Data

2,2-Dimethylglutaric acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 1
No. of Spectra 140
Tandem Spectra MS1, MS2, MS3
Ionization Methods ESI
Analyzers FT
Last Modification 11/5/2014 2:02:48 PM
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Identificators

InChI InChI=1S/C7H12O4/c1-7(2,6(10)11)4-3-5(8)9/h3-4H2,1-2H3,(H,8,9)(H,10,11)
InChI Key BTUDGPVTCYNYLK-UHFFFAOYSA-N
Canonical SMILES CC(C)(CCC(=O)O)C(=O)O
CAS 681572
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Other Names 2,2-Dimethylpentane-1,5-dioic acid

In Other Databases

ChemIDPlus 000681572
ChemSpider 12160
ChEBI CHEBI:68459
PubChem 12681