Dataset

high-resolution mass spectrometry (HRMS)

dataset for high-resolution mass spectrometry (HRMS)

Chemical Information

molecular Image
InChI InChI=1S/C22H27BO4/c1-14-13-19(23-26-21(3,4)22(5,6)27-23)15(2)12-18(14)16-8-10-17(11-9-16)20(24)25-7/h8-13H,1-7H3
SMILES COC(=O)c1ccc(cc1)c1cc(C)c(cc1C)B1OC(C(O1)(C)C)(C)C
InChI Key XYIKIKCUYGUMNY-UHFFFAOYSA-N
Molecular Formula C22H27BO4
Exact Mass 366.258 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XYIKIKCUYGUMNY-UHFFFAOYSA-N/CHMO0000498
License URL
Source https://www.chemotion-repository.net/inchikey/XYIKIKCUYGUMNY-UHFFFAOYSA-N/CHMO0000498
Version
Author Sylvain Grosjean
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-08-05
Related Molecule
  • methyl 4-[2,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzoate
    • Field Value
    Measurement Technique high-resolution mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    73427294 PubChem
    The data in this table is sourced from UniChem at EBI.