Dataset

3-{[(7-methoxy-2-oxochromen-4-yl)methyl]methylamino}propanenitrile

This MassBank record with Accession MSBNK-Washington_State_Univ-BML80360 contains the MS mass spectrum of 3-{[(7-methoxy-2-oxochromen-4-yl)methyl]methylamino}propanenitrile with the InChIkey FMDMLXZPCLVWSQ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H16N2O3/c1-17(7-3-6-16)10-11-8-15(18)20-14-9-12(19-2)4-5-13(11)14/h4-5,8-9H,3,7,10H2,1-2H3
SMILES CN(CCC#N)CC1=CC(=O)OC2=C1C=CC(=C2)OC
InChI Key FMDMLXZPCLVWSQ-UHFFFAOYSA-N
Molecular Formula C15H16N2O3
Exact Mass 272.116 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-Washington_State_Univ-BML80360
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:24:10.697944
MetadataModified 2024-01-11T22:24:10.884328
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
MCULE-6636589834 Mcule
4315245 PubChem
182697 ChEBI
ZINC000020352883 ZINC
4826658 eMolecules
The data in this table is sourced from UniChem at EBI.