Dataset

Mono-isononyl-cyclohexane-1,2-dicarboxylate

This MassBank record with Accession MSBNK-Antwerp_Univ-AN113726 contains the MS2 mass spectrum of Mono-isononyl-cyclohexane-1,2-dicarboxylate with the InChIkey IGGVQTVKZINOGK-NOYMGPGASA-N.

Chemical Info

molecular Image
InChI InChI=1S/C17H30O4/c1-3-4-8-13(2)9-7-12-21-17(20)15-11-6-5-10-14(15)16(18)19/h13-15H,3-12H2,1-2H3,(H,18,19)/t13?,14-,15+/m0/s1
SMILES CCCCC(C)CCCOC(=O)[C@@H]1CCCC[C@@H]1C(=O)O
InChI Key IGGVQTVKZINOGK-NOYMGPGASA-N
Molecular Formula C17H30O4
Exact Mass 298.214 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-AN113726
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:30:19.784228
MetadataModified 2024-01-11T09:30:19.955520
MetadataPublished 2021-08-05
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
155898865 PubChem
The data in this table is sourced from UniChem at EBI.