Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

molecular Image
InChI InChI=1S/C9H13O3P/c1-8-6-4-5-7-9(8)13(10,11-2)12-3/h4-7H,1-3H3
SMILES COP(=O)(c1ccccc1C)OC
InChI Key GCSOCNSAUQLHSB-UHFFFAOYSA-N
Molecular Formula C9H13O3P
Exact Mass 200.171 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GCSOCNSAUQLHSB-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/GCSOCNSAUQLHSB-UHFFFAOYSA-N/CHMO0000595
Version
Author Christoph Zippel
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-01-10
Related Molecule
  • 1-dimethoxyphosphoryl-2-methylbenzene
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL3881646 SureChEMBL
    23418468 PubChem
    ZINC000139285525 ZINC
    J3.322.615B Nikkaji
    The data in this table is sourced from UniChem at EBI.