Dataset

N,N-Diethyl-3-methoxybenzamide

This MassBank record with Accession MSBNK-Fiocruz-FIO00380 contains the MS2 mass spectrum of N,N-Diethyl-3-methoxybenzamide with the InChIkey YYTOWTFIPGDNDQ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C12H17NO2/c1-4-13(5-2)12(14)10-7-6-8-11(9-10)15-3/h6-9H,4-5H2,1-3H3
SMILES COc(c1)cc(cc1)C(=O)N(CC)CC
InChI Key YYTOWTFIPGDNDQ-UHFFFAOYSA-N
Molecular Formula C12H17NO2
Exact Mass 207.126 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00380
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T16:41:29.624306
MetadataModified 2024-01-11T16:41:29.853371
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
1275272 eMolecules
16582333 PubChem: Thomson Pharma
SCHEMBL1868573 SureChEMBL
J1.887.297H Nikkaji
ZINC000000030024 ZINC
DTXSID80349969 EPA CompTox Dashboard
669438 PubChem
MCULE-1609226541 Mcule
The data in this table is sourced from UniChem at EBI.