Dataset

TRIETHYLENE GLYCOL DI-3-ETHYLBUTYRATE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP003352 contains the MS mass spectrum of TRIETHYLENE GLYCOL DI-3-ETHYLBUTYRATE with the InChIkey NGWFBGFXMJOQFK-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H34O6/c1-5-15(3)13-17(19)23-11-9-21-7-8-22-10-12-24-18(20)14-16(4)6-2/h15-16H,5-14H2,1-4H3
SMILES CCC(C)CC(=O)OCCOCCOCCOC(=O)CC(C)CC
InChI Key NGWFBGFXMJOQFK-UHFFFAOYSA-N
Molecular Formula C18H34O6
Exact Mass 346.236 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-JP003352
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 2-[2-[2-(3-methylpentanoyloxy)ethoxy]ethoxy]ethyl 3-methylpentanoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J45.434F Nikkaji
    SCHEMBL1031054 SureChEMBL
    87189724 PubChem
    The data in this table is sourced from UniChem at EBI.