Dataset

3,5-Ditert-butyl-4-hydroxybenzaldehyde

This MassBank record with Accession MSBNK-Antwerp_Univ-AN113107 contains the MS2 mass spectrum of 3,5-Ditert-butyl-4-hydroxybenzaldehyde with the InChIkey DOZRDZLFLOODMB-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H22O2/c1-14(2,3)11-7-10(9-16)8-12(13(11)17)15(4,5)6/h7-9,17H,1-6H3
SMILES CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=O
InChI Key DOZRDZLFLOODMB-UHFFFAOYSA-N
Molecular Formula C15H22O2
Exact Mass 234.162 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-AN113107
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:31:55.295155
MetadataModified 2024-01-11T09:31:55.478455
MetadataPublished 2021-08-05
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
481552 eMolecules
CHEMBL225623 ChEMBL
14798237 PubChem: Thomson Pharma
73219 PubChem
SCHEMBL85764 SureChEMBL
95VTI93VUL FDA SRS
1620-98-0 ACToR
HMDB0240643 Human Metabolome Database
MCULE-4024560770 Mcule
20040789 NMRShiftDB
J148.925I Nikkaji
ZINC000000056443 ZINC
PEHTAX CCDC
170060 ChEBI
DTXSID7057658 EPA CompTox Dashboard
CB7282782 ChemicalBook
The data in this table is sourced from UniChem at EBI.