Sebacic acid

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Systematic / IUPAC Name: Decanedioic acid

ID: Reference916

Other Names: 1,8-Octanedicarboxylic acid;
1,10-Decanedioic acid;
n-Decanedioic acid;
4-Oxodecanedioate;
1,8-Dicarboxyoctane ; more

Formula: C10H18O4

Class: Endogenous Metabolites Industrial Chemicals

Spectral Data

Sebacic 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 Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 71
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 10/13/2016 12:22:32 PM
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Identificators

InChI InChI=1S/C10H18O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h1-8H2,(H,11,12)(H,13,14)
InChI Key CXMXRPHRNRROMY-UHFFFAOYSA-N
Canonical SMILES C(CCCCC(=O)O)CCCC(=O)O
CAS 111206
Splash
Other Names 1,8-Octanedicarboxylic acid;
1,10-Decanedioic acid;
n-Decanedioic acid;
4-Oxodecanedioate;
1,8-Dicarboxyoctane;
Octane-1,8-dicarboxylic acid;
Sebacic acid;
Ipomic acid;
Seracic acid

In Other Databases

PubChem 5192
ChEBI CHEBI:41865
ChemSpider 5004
KEGG C08277
Wikipedia Sebacic acid
ChemIDPlus 000111206; 026745880; 090409782; 005505624; 026776294; 017265144; 004476044; 009011523; 025214817; 068797557
LipidsMAPs LMFA01170006
HMDb HMDB00792
ChEMBL CHEMBL1232164