Dataset

1,5-DIMETHYL-2-ISOPENTYLHEXYL TETRADECANOATE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP010081 contains the MS mass spectrum of 1,5-DIMETHYL-2-ISOPENTYLHEXYL TETRADECANOATE with the InChIkey JHAGSLRTFDBCLA-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C27H54O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-27(28)29-25(6)26(21-19-23(2)3)22-20-24(4)5/h23-26H,7-22H2,1-6H3
SMILES CCCCCCCCCCCCCC(=O)OC(C)C(CCC(C)C)CCC(C)C
InChI Key JHAGSLRTFDBCLA-UHFFFAOYSA-N
Molecular Formula C27H54O2
Exact Mass 410.412 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP010081
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:56:57.239945
MetadataModified 2024-01-11T15:56:57.451300
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
DTXSID10659760 EPA CompTox Dashboard
28204583 eMolecules
J354.920H Nikkaji
SCHEMBL11208818 SureChEMBL
44629799 PubChem
The data in this table is sourced from UniChem at EBI.