Dodecanedioic acid

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Systematic / IUPAC Name: Dodecanedioic acid

ID: Reference1182

Other Names: 1,12-Dodecanedioic acid;
1,10-Decanedicarboxylic acid;
1,10-Dicarboxydecane;
Decane-1,10-dicarboxylic acid;
n-Dodecanedioate ; more

Formula: C12H22O4

Class: Endogenous Metabolites

Spectral Data

Dodecanedioic 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 168
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods ESI
Analyzers FT
Last Modification 10/17/2016 7:12:02 AM
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Identificators

InChI InChI=1S/C12H22O4/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h1-10H2,(H,13,14)(H,15,16)
InChI Key TVIDDXQYHWJXFK-UHFFFAOYSA-N
Canonical SMILES C(CCCCCC(=O)O)CCCCC(=O)O
CAS 693232
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Other Names 1,12-Dodecanedioic acid;
1,10-Decanedicarboxylic acid;
1,10-Dicarboxydecane;
Decane-1,10-dicarboxylic acid;
n-Dodecanedioate;
n-Dodecanedioic acid;
1,12-Dodecanedioate

In Other Databases

ChemIDPlus 000693232; 035464949; 013188608; 026098555; 031352393; 036497344; 060180781; 084434866
LipidsMAPs LMFA01170009
KEGG C02678
HMDb HMDB00623
ChemSpider 12213
PubChem 12736
ChEBI CHEBI:4676
Wikipedia Dodecanedioic acid