Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

molecular Image
InChI InChI=1S/C10H11O3PS/c1-12-14(11,13-2)9-3-4-10-8(7-9)5-6-15-10/h3-7H,1-2H3
SMILES COP(=O)(c1ccc2c(c1)ccs2)OC
InChI Key VLRAYJRKPYKDDY-UHFFFAOYSA-N
Molecular Formula C10H11O3PS
Exact Mass 242.231 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VLRAYJRKPYKDDY-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/VLRAYJRKPYKDDY-UHFFFAOYSA-N/CHMO0000593
Version
Author Christoph Zippel
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-01-21
Related Molecule
  • 5-dimethoxyphosphoryl-1-benzothiophene
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    162396636 PubChem
    The data in this table is sourced from UniChem at EBI.