Dataset

3,5-Dimethoxycinnamic acid

This MassBank record with Accession MSBNK-RIKEN-PR302442 contains the MS2 mass spectrum of 3,5-Dimethoxycinnamic acid with the InChIkey VLSRUFWCGBMYDJ-ONEGZZNKSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C11H12O4/c1-14-9-5-8(3-4-11(12)13)6-10(7-9)15-2/h3-7H,1-2H3,(H,12,13)/b4-3+
SMILES COC1=CC(\C=C\C(O)=O)=CC(OC)=C1
InChI Key VLSRUFWCGBMYDJ-ONEGZZNKSA-N
Molecular Formula C11H12O4
Exact Mass 208.213 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-RIKEN-PR302442
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:14:28.858688
MetadataModified 2025-02-09T18:26:20.262087
MetadataPublished 2019-03-28
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
5324677 PubChem
121276942 PubChem: Thomson Pharma
536897 eMolecules
CB6460925 ChemicalBook
112500 Brenda
SCHEMBL290940 SureChEMBL
MCULE-3333629868 Mcule
20040427 NMRShiftDB
ZINC000001584583 ZINC
J318.298C Nikkaji
J505.007C Nikkaji
CHEMBL1436594 ChEMBL
The data in this table is sourced from UniChem at EBI.