Dataset

high-resolution mass spectrometry (HRMS)

dataset for high-resolution mass spectrometry (HRMS)

Chemical Information

molecular Image
InChI InChI=1S/C11H13BrO3/c1-4-15-11(13)8-5-7(2)10(12)9(6-8)14-3/h5-6H,4H2,1-3H3
SMILES CCOC(=O)c1cc(C)c(c(c1)OC)Br
InChI Key BUQPHXBXKAGZRZ-UHFFFAOYSA-N
Molecular Formula C11H13BrO3
Exact Mass 273.123 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BUQPHXBXKAGZRZ-UHFFFAOYSA-N/CHMO0000498
License URL
Source https://www.chemotion-repository.net/inchikey/BUQPHXBXKAGZRZ-UHFFFAOYSA-N/CHMO0000498
Version
Author Tobias Sengpiel
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-02-23
Related Molecule
  • ethyl 4-bromo-3-methoxy-5-methylbenzoate
    • Field Value
    Measurement Technique high-resolution mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.