Dataset

((propane-2,2-diylbis(4,1-phenylene))bis(oxy))bis(3,6,9,12,15-pentaoxaheptadecane-17,1-diyl) bis(2-methylacrylate)

This MassBank record with Accession MSBNK-Antwerp_Univ-AN122846 contains the MS2 mass spectrum of ((propane-2,2-diylbis(4,1-phenylene))bis(oxy))bis(3,6,9,12,15-pentaoxaheptadecane-17,1-diyl) bis(2-methylacrylate) with the InChIkey GRZRVXZIMPYCAW-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C47H72O16/c1-39(2)45(48)62-37-33-58-29-25-54-21-17-50-15-19-52-23-27-56-31-35-60-43-11-7-41(8-12-43)47(5,6)42-9-13-44(14-10-42)61-36-32-57-28-24-53-20-16-51-18-22-55-26-30-59-34-38-63-46(49)40(3)4/h7-14H,1,3,15-38H2,2,4-6H3
SMILES	CC(C1=CC=C(OCCOCCOCCOCCOCCOCCOC(C(C)=C)=O)C=C1)(C)C2=CC=C(OCCOCCOCCOCCOCCOCCOC(C(C)=C)=O)C=C2
InChI Key	GRZRVXZIMPYCAW-UHFFFAOYSA-N
Molecular Formula	C47H72O16
Exact Mass	892.482 g/mol

Data and Resources

((propane-2,2-diylbis(4,1-phenylene))bis(oxy))b...HTML
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Metadata Information

Field	Value
DOI
License URL
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-AN122846
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T09:30:50.271423
MetadataModified	2024-01-11T09:30:50.427190
MetadataPublished	2021-08-17

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
102211601	PubChem
J2.163.133G	Nikkaji
The data in this table is sourced from UniChem at EBI.