Heptanoic acid

enlarge

Systematic / IUPAC Name: Heptanoic acid

ID: Reference2836

Other Names: n-Heptoic acid;
Enanthylic acid;
Hepthlic acid;
Heptoic acid;
Oenanthylic acid ; more

Formula: C7H14O2

Class: Endogenous Metabolites Extractables/Leachables Excipients/Additives/Colorants Personal Care Products/Cosmetics Industrial Chemicals Textile Chemicals/Auxiliary/Dyes

Spectral Data

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

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP ; Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 200
Tandem Spectra MS1, MS2
Ionization Methods APCI; NSI
Analyzers FT
Last Modification 4/28/2017 5:05:22 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)
InChI Key MNWFXJYAOYHMED-UHFFFAOYSA-N
Canonical SMILES CCCCCCC(=O)O
CAS 111148
Splash
Other Names n-Heptoic acid;
Enanthylic acid;
Hepthlic acid;
Heptoic acid;
Oenanthylic acid;
n-Heptanoic acid;
n-Heptylic acid;
1-Heptanoic acid;
1-Hexanecarboxylic acid;
Enanthic acid;
Heptylic acid;
Oenanthic acid

In Other Databases

DrugBank DB02938
KEGG C17714
ChemIDPlus 000111148; 011138457; 007563373; 068855185; 070693468; 070851068; 071077071; 071077082; 005128109; 068568514
ChemSpider 7803
ChEBI CHEBI:45571
Wikipedia Heptanoic acid
LipidsMAPs LMFA01010007
HMDb HMDB00666
PubChem 8094