Dataset

Tris(tert-butylphenyl) phosphate; LC-ESI-QTOF; MS2; CE: 55eV; R=7000; [M+H]+

This MassBank record with Accession MSBNK-Antwerp_Univ-AN117911 contains the MS2 mass spectrum of Tris(tert-butylphenyl) phosphate with the InChIkey SPUXJWDKFVXXBI-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C30H39O4P/c1-28(2,3)22-16-10-13-19-25(22)32-35(31,33-26-20-14-11-17-23(26)29(4,5)6)34-27-21-15-12-18-24(27)30(7,8)9/h10-21H,1-9H3
SMILES CC(C)(C)C1=CC=CC=C1OP(=O)(OC2=CC=CC=C2C(C)(C)C)OC3=CC=CC=C3C(C)(C)C
InChI Key SPUXJWDKFVXXBI-UHFFFAOYSA-N
Molecular Formula C30H39O4P
Exact Mass 494.259 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-AN117911
Version
Author
Maintainer
Language
MetadataPublished 2021-08-09
Related Molecule
  • tris(2-tert-butylphenyl) phosphate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    ZINC000033650128 ZINC
    SCHEMBL190944 SureChEMBL
    28777-70-0 ACToR
    3034371 PubChem
    The data in this table is sourced from UniChem at EBI.