Dataset

Tris(4-isopropylphenyl) phosphate; LC-ESI-QTOF; MS2; 70 V

This MassBank record with Accession MSBNK-BAFG-CSL23111014437 contains the MS2 mass spectrum of Tris(4-isopropylphenyl) phosphate with the InChIkey ANVREEJNGJMLOV-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C27H33O4P/c1-19(2)22-7-13-25(14-8-22)29-32(28,30-26-15-9-23(10-16-26)20(3)4)31-27-17-11-24(12-18-27)21(5)6/h7-21H,1-6H3
SMILES CC(C)C1=CC=C(C=C1)OP(=O)(OC2=CC=C(C=C2)C(C)C)OC3=CC=C(C=C3)C(C)C
InChI Key ANVREEJNGJMLOV-UHFFFAOYSA-N
Molecular Formula C27H33O4P
Exact Mass 452.212 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL23111014437
Version
Author
Maintainer
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MetadataPublished 2023-11-10
Related Molecule
  • tris(4-propan-2-ylphenyl) phosphate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL458602 chembl
    36617 surechembl
    75628 pubchem
    Y3H2FDX0NW fdasrs
    Molport-006-114-452 molport
    The data in this table is sourced from UniChem at EBI.