Dataset

high-resolution mass spectrometry (HRMS)

dataset for high-resolution mass spectrometry (HRMS)

Chemical Information

molecular Image
InChI InChI=1S/C13H11NO2S/c1-16-13(9-6-7-17-8-9)11-5-3-2-4-10(11)12(15)14-13/h2-8H,1H3,(H,14,15)
SMILES COC1(NC(=O)c2c1cccc2)c1ccsc1
InChI Key MJRRYZZDHRKPMP-UHFFFAOYSA-N
Molecular Formula C13H11NO2S
Exact Mass 245.297 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MJRRYZZDHRKPMP-UHFFFAOYSA-N/CHMO0000498
License URL
Source https://www.chemotion-repository.net/inchikey/MJRRYZZDHRKPMP-UHFFFAOYSA-N/CHMO0000498
Version
Author Georg Manolikakes
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-11-13
Related Molecule
  • 3-methoxy-3-thiophen-3-yl-2H-isoindol-1-one
    • Field Value
    Measurement Technique high-resolution mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.