Dataset

electron ionisation mass spectrometry (EI-MS)

dataset for electron ionisation mass spectrometry (EI-MS)

Chemical Information

molecular Image
InChI InChI=1S/C18H28B2O4/c1-15(2)16(3,4)22-19(21-15)13-9-11-14(12-10-13)20-23-17(5,6)18(7,8)24-20/h9-12H,1-8H3
SMILES CC1(C)OB(OC1(C)C)c1ccc(cc1)B1OC(C(O1)(C)C)(C)C
InChI Key UOJCDDLTVQJPGH-UHFFFAOYSA-N
Molecular Formula C18H28B2O4
Exact Mass 330.035 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UOJCDDLTVQJPGH-UHFFFAOYSA-N/Mass/EI
License URL
Source https://www.chemotion-repository.net/inchikey/UOJCDDLTVQJPGH-UHFFFAOYSA-N/Mass/EI
Version
Author Sylvain Grosjean
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane
    • Field Value
    Measurement Technique electron ionisation mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL228212 SureChEMBL
    15621590 PubChem: Thomson Pharma
    528568 eMolecules
    CB1500370 ChemicalBook
    J1.053.215I Nikkaji
    DTXSID30442257 EPA CompTox Dashboard
    EPOYIS CCDC
    ZINC000169743800 ZINC
    10592495 PubChem
    The data in this table is sourced from UniChem at EBI.