Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C16H15NO3S/c1-10-3-8-13-14(9-10)21-16(17-13,15(19)20-2)11-4-6-12(18)7-5-11/h3-9,17-18H,1-2H3
SMILES COC(=O)C1(Nc2c(S1)cc(cc2)C)c1ccc(cc1)O
InChI Key LKLAQSQLIWJRIC-UHFFFAOYSA-N
Molecular Formula C16H15NO3S
Exact Mass 301.360 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LKLAQSQLIWJRIC-UHFFFAOYSA-N/CHMO0000470.2
License URL
Source https://www.chemotion-repository.net/inchikey/LKLAQSQLIWJRIC-UHFFFAOYSA-N/CHMO0000470.2
Version
Author Patrick Hodapp
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-03-11
Related Molecule
  • methyl 2-(4-hydroxyphenyl)-6-methyl-3H-1,3-benzothiazole-2-carboxylate
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    145997951 PubChem
    The data in this table is sourced from UniChem at EBI.