Triheptanoin

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Systematic / IUPAC Name: 1,2,3-Propanetriyl triheptanoate

ID: Reference7309

Other Names: 1,3-Bis(heptanoyloxy)propan-2-yl heptanoate ;
Glycerol triheptanoate;
Trienanthoin;
Triheptanoic glyceride;
Trioenanthoin ; more

Formula: C24H44O6

Class: Extractables/Leachables

Spectral Data

Triheptanoin 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 Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 1
No. of Spectra 545
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 3/28/2018 9:58:09 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C24H44O6/c1-4-7-10-13-16-22(25)28-19-21(30-24(27)18-15-12-9-6-3)20-29-23(26)17-14-11-8-5-2/h21H,4-20H2,1-3H3
InChI Key PJHKBYALYHRYSK-UHFFFAOYSA-N
Canonical SMILES CCCCCCC(=O)OCC(COC(=O)CCCCCC)OC(=O)CCCCCC
CAS 620677
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Other Names 1,3-Bis(heptanoyloxy)propan-2-yl heptanoate ;
Glycerol triheptanoate;
Trienanthoin;
Triheptanoic glyceride;
Trioenanthoin;
Heptanoic acid, 1,2,3-propanetriyl ester;
Propane-1,2,3-triyl triheptanoate;
Propane-1,2,3-triyl trisheptanoate;
Triheptylin;
Glycerol trienanthate

In Other Databases

PubChem 69286
ChemIDPlus 000620677
Wikipedia Triheptanoin
ChemSpider 62497