Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C16H21BO6/c1-15(2)16(3,4)23-17(22-15)10-7-8-11(13(18)20-5)12(9-10)14(19)21-6/h7-9H,1-6H3
SMILES COC(=O)c1cc(ccc1C(=O)OC)B1OC(C(O1)(C)C)(C)C
InChI Key RLDRAXBPIRSRSV-UHFFFAOYSA-N
Exact Mass 320.145 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RLDRAXBPIRSRSV-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/RLDRAXBPIRSRSV-UHFFFAOYSA-N/CHMO0000470
Version
Author Stefan Bräse
Maintainer Chemotion Repository
Language english
MetadataPublished 2026-03-23
Related Molecule
  • dimethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1,2-dicarboxylate
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    25035049 surechembl
    99973125 pubchem
    DTXSID901334437 comptox
    Molport-035-874-525 molport
    The data in this table is sourced from UniChem at EBI.