Dataset

Ethyl 2-cyano-3,3-diphenylacrylate

This MassBank record with Accession MSBNK-Eawag-EQ01109205 contains the MS2 mass spectrum of Ethyl 2-cyano-3,3-diphenylacrylate with the InChIkey IAJNXBNRYMEYAZ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C18H15NO2/c1-2-21-18(20)16(13-19)17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2H2,1H3
SMILES CCOC(=O)C(C#N)=C(C1=CC=CC=C1)C1=CC=CC=C1
InChI Key IAJNXBNRYMEYAZ-UHFFFAOYSA-N
Molecular Formula C18H15NO2
Exact Mass 277.110 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01109205
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T09:30:56.464260
MetadataModified 2025-02-09T09:30:56.661811
MetadataPublished 2024-06-14
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
MCULE-2560345926 Mcule
CB3337091 ChemicalBook
243274 PubChem
PD013693 ProbesDrugs
974109G71I FDA SRS
5232-99-5 ACToR
137902-95-5 ACToR
SCHEMBL39390 SureChEMBL
14771151 PubChem: Thomson Pharma
506203 eMolecules
DTXSID9044821 EPA CompTox Dashboard
J8.822F Nikkaji
ZINC000000001404 ZINC
CHEMBL1889451 ChEMBL
The data in this table is sourced from UniChem at EBI.