Dataset

3-CYANO-4,8-BIS(METHOXYMETHYL)-1-OXA-2-OXO-1,2-DIHYDROAZULENE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP000773 contains the MS mass spectrum of 3-CYANO-4,8-BIS(METHOXYMETHYL)-1-OXA-2-OXO-1,2-DIHYDROAZULENE with the InChIkey REIDKTNDNOMATR-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C14H13NO4/c1-17-7-9-4-3-5-10(8-18-2)13-12(9)11(6-15)14(16)19-13/h3-5H,7-8H2,1-2H3
SMILES COCC(C=2)=c(o1)c(C(COC)=CC2)c(C#N)c(=O)1
InChI Key REIDKTNDNOMATR-UHFFFAOYSA-N
Molecular Formula C14H13NO4
Exact Mass 259.084 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP000773
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:56:53.047464
MetadataModified 2024-01-11T15:56:53.210716
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
101618202 PubChem
J45.767A Nikkaji
The data in this table is sourced from UniChem at EBI.