Dataset

electrospray ionisation mass spectrometry (ESMS)

dataset for electrospray ionisation mass spectrometry (ESMS)

Chemical Information

molecular Image
InChI InChI=1S/C14H21BO2/c1-4-5-12-6-8-13(9-7-12)15-16-10-14(2,3)11-17-15/h6-9H,4-5,10-11H2,1-3H3
SMILES CCCc1ccc(cc1)B1OCC(CO1)(C)C
InChI Key DMVXUZLIMSBAIZ-UHFFFAOYSA-N
Molecular Formula C14H21BO2
Exact Mass 232.126 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DMVXUZLIMSBAIZ-UHFFFAOYSA-N/CHMO0000482
License URL
Source https://www.chemotion-repository.net/inchikey/DMVXUZLIMSBAIZ-UHFFFAOYSA-N/CHMO0000482
Version
Author Peter Bäuerle
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-12-03
Related Molecule
  • 5,5-dimethyl-2-(4-propylphenyl)-1,3,2-dioxaborinane
    • Field Value
    Measurement Technique electrospray ionisation mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    15973043 PubChem: Thomson Pharma
    J1.908.698D Nikkaji
    10922381 PubChem
    The data in this table is sourced from UniChem at EBI.