Dataset

DIETHYL DIETHYLMALONATE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP009009 contains the MS mass spectrum of DIETHYL DIETHYLMALONATE with the InChIkey ZKBBUZRGPULIRN-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C11H20O4/c1-5-11(6-2,9(12)14-7-3)10(13)15-8-4/h5-8H2,1-4H3
SMILES CCOC(=O)C(CC)(CC)C(=O)OCC
InChI Key ZKBBUZRGPULIRN-UHFFFAOYSA-N
Molecular Formula C11H20O4
Exact Mass 216.136 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-JP009009
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:55:11.623572
MetadataModified 2024-01-11T15:55:11.790469
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CB6315360 ChemicalBook
483884 eMolecules
15165321 PubChem: Thomson Pharma
77-25-8 ACToR
CEH13944YQ FDA SRS
ZINC000001648195 ZINC
J36.622F Nikkaji
DTXSID0058807 EPA CompTox Dashboard
66165 PubChem
SCHEMBL1244565 SureChEMBL
MCULE-9331370148 Mcule
10008702 NMRShiftDB
The data in this table is sourced from UniChem at EBI.