Dataset

2,2`-{Propane-2,2-diylbis[(4,1-phenylene)oxymethylene]}bis(oxirane)

This MassBank record with Accession MSBNK-Antwerp_Univ-AN121539 contains the MS2 mass spectrum of 2,2`-{Propane-2,2-diylbis[(4,1-phenylene)oxymethylene]}bis(oxirane) with the InChIkey LCFVJGUPQDGYKZ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C21H24O4/c1-21(2,15-3-7-17(8-4-15)22-11-19-13-24-19)16-5-9-18(10-6-16)23-12-20-14-25-20/h3-10,19-20H,11-14H2,1-2H3
SMILES CC(C)(C1=CC=C(C=C1)OCC2CO2)C3=CC=C(C=C3)OCC4CO4
InChI Key LCFVJGUPQDGYKZ-UHFFFAOYSA-N
Molecular Formula C21H24O4
Exact Mass 340.168 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-AN121539
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:31:30.209681
MetadataModified 2024-01-11T09:31:30.404114
MetadataPublished 2021-08-17
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
34578 ChEBI
DTXSID6024624 EPA CompTox Dashboard
DGEBPA CCDC
50241439 BindingDB
F3XRM1NX4H FDA SRS
CB3749115 ChemicalBook
DB14083 DrugBank
HMDB0032737 Human Metabolome Database
118860 Brenda
116161-20-7 ACToR
1675-54-3 ACToR
500008-19-5 ACToR
LSM-1345 LINCS
PD020695 ProbesDrugs
2286 PubChem
14875673 PubChem: Thomson Pharma
J14.164J Nikkaji
MCULE-9203373672 Mcule
SCHEMBL22121 SureChEMBL
CHEMBL258558 ChEMBL
C14348 KEGG Ligand
482902 eMolecules
The data in this table is sourced from UniChem at EBI.