Dataset

high-resolution mass spectrometry (HRMS)

dataset for high-resolution mass spectrometry (HRMS)

Chemical Information

molecular Image
InChI InChI=1S/C19H24BNO2/c1-13-12-17(20-22-18(3,4)19(5,6)23-20)14(2)11-16(13)15-7-9-21-10-8-15/h7-12H,1-6H3
SMILES Cc1cc(c(cc1B1OC(C(O1)(C)C)(C)C)C)c1ccncc1
InChI Key IPGBHWDWCAHDHX-UHFFFAOYSA-N
Molecular Formula C19H24BNO2
Exact Mass 309.210 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IPGBHWDWCAHDHX-UHFFFAOYSA-N/CHMO0000498
License URL
Source https://www.chemotion-repository.net/inchikey/IPGBHWDWCAHDHX-UHFFFAOYSA-N/CHMO0000498
Version
Author Sylvain Grosjean
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-06-15
Related Molecule
  • 4-[2,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine
    • Field Value
    Measurement Technique high-resolution mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    146170773 pubchem
    The data in this table is sourced from UniChem at EBI.