Dataset

Octyl-3,5-di-tert-butyl-4-hydroxyhydrocinnamate

This MassBank record with Accession MSBNK-Athens_Univ-AU252705 contains the MS2 mass spectrum of Octyl-3,5-di-tert-butyl-4-hydroxyhydrocinnamate with the InChIkey CFXCGWWYIDZIMU-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C25H42O3/c1-8-9-10-11-12-13-16-28-22(26)15-14-19-17-20(24(2,3)4)23(27)21(18-19)25(5,6)7/h17-18,27H,8-16H2,1-7H3
SMILES CCCCCCCCOC(=O)CCC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C
InChI Key CFXCGWWYIDZIMU-UHFFFAOYSA-N
Molecular Formula C25H42O3
Exact Mass 390.313 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU252705
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:47:38.724536
MetadataModified 2024-01-11T09:47:38.891082
MetadataPublished 2019-04-08
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
J1.186.010I Nikkaji
SCHEMBL283575 SureChEMBL
MolPort-008-266-514 MolPort
14878565 PubChem: Thomson Pharma
181742 ChEBI
CB0132431 ChemicalBook
ZINC000100045171 ZINC
DTXSID60273995 EPA CompTox Dashboard
9908458 PubChem
The data in this table is sourced from UniChem at EBI.