Dataset

Tris(tert-butylphenyl) phosphate

This MassBank record with Accession MSBNK-Antwerp_Univ-AN117909 contains the MS2 mass spectrum of Tris(tert-butylphenyl) phosphate with the InChIkey SPUXJWDKFVXXBI-UHFFFAOYSA-N.

Chemical Info

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
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-AN117909
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:35:43.351827
MetadataModified 2024-01-11T09:35:43.535633
MetadataPublished 2021-08-09
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.