Dataset

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

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

Chemical Info

molecular Image
InChI InChI=1S/C8H10S/c1-6-3-4-8(9)5-7(6)2/h3-5,9H,1-2H3
SMILES Sc1ccc(c(c1)C)C
InChI Key IDKCKPBAFOIONK-UHFFFAOYSA-N
Molecular Formula C8H10S
Exact Mass 138.230 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IDKCKPBAFOIONK-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/IDKCKPBAFOIONK-UHFFFAOYSA-N/CHMO0001150
Version
Author Grace Hunt
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T04:29:18.567963
MetadataModified 2024-09-08T04:29:18.567968
MetadataPublished 2024-08-09
Field Value
Measurement Technique 1H–1H correlation spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
87799 PubChem
26517050 PubChem: Thomson Pharma
18800-53-8 ACToR
ZINC000019230163 ZINC
DTXSID4066418 EPA CompTox Dashboard
493416 eMolecules
L4F41SS351 FDA SRS
CB7480786 ChemicalBook
MolPort-000-154-961 MolPort
SCHEMBL91378 SureChEMBL
J155.604E Nikkaji
The data in this table is sourced from UniChem at EBI.