Dataset

((propane-2,2-diylbis(4,1-phenylene))bis(oxy))bis(3,6,9,12-tetraoxatetradecane-14,1-diyl) bis(2-methylacrylate)

This MassBank record with Accession MSBNK-Antwerp_Univ-AN122638 contains the MS2 mass spectrum of ((propane-2,2-diylbis(4,1-phenylene))bis(oxy))bis(3,6,9,12-tetraoxatetradecane-14,1-diyl) bis(2-methylacrylate) with the InChIkey DOXBBOVOUUITPV-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C43H64O14/c1-35(2)41(44)56-33-29-52-25-21-48-17-15-46-19-23-50-27-31-54-39-11-7-37(8-12-39)43(5,6)38-9-13-40(14-10-38)55-32-28-51-24-20-47-16-18-49-22-26-53-30-34-57-42(45)36(3)4/h7-14H,1,3,15-34H2,2,4-6H3
SMILES	CC(C1=CC=C(OCCOCCOCCOCCOCCOC(C(C)=C)=O)C=C1)(C)C2=CC=C(OCCOCCOCCOCCOCCOC(C(C)=C)=O)C=C2
InChI Key	DOXBBOVOUUITPV-UHFFFAOYSA-N
Molecular Formula	C43H64O14
Exact Mass	804.430 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-AN122638
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T09:33:19.654356
MetadataModified	2024-01-11T09:33:19.819998
MetadataPublished	2021-08-17

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
J2.056.355I	Nikkaji
16213079	PubChem: Thomson Pharma
11136546	PubChem
The data in this table is sourced from UniChem at EBI.