Dataset

1H--1H correlation spectroscopy (1H-1H COSY)

dataset for 1H--1H correlation spectroscopy (1H-1H COSY)

Chemical Information

molecular Image
InChI InChI=1S/C9H12S/c1-2-8-10-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
SMILES CCCSc1ccccc1
InChI Key NWYDLOBJQIJDGH-UHFFFAOYSA-N
Molecular Formula C9H12S
Exact Mass 152.257 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NWYDLOBJQIJDGH-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/NWYDLOBJQIJDGH-UHFFFAOYSA-N/CHMO0001150
Version
Author Susanne Moser
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-02-02
Related Molecule
  • propylsulfanylbenzene
    • Field Value
    Measurement Technique 1H–1H correlation spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL575835 SureChEMBL
    ZINC000001704961 ZINC
    DTXSID60236328 EPA CompTox Dashboard
    J100.045D Nikkaji
    14793880 PubChem: Thomson Pharma
    874-79-3 ACToR
    109472 Brenda
    150474 Brenda
    73804 Brenda
    109288 Brenda
    13407 PubChem
    The data in this table is sourced from UniChem at EBI.