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/C8H5F/c1-2-7-3-5-8(9)6-4-7/h1,3-6H
SMILES C#Cc1ccc(cc1)F
InChI Key QXSWHQGIEKUBAS-UHFFFAOYSA-N
Molecular Formula C8H5F
Exact Mass 120.124 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QXSWHQGIEKUBAS-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/QXSWHQGIEKUBAS-UHFFFAOYSA-N/CHMO0001150
Version
Author Helena Šimek Tosino
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T03:11:02.946771
MetadataModified 2024-09-08T03:11:02.946777
MetadataPublished 2024-03-20
Field Value
Measurement Technique 1H–1H correlation spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
CB5293061 ChemicalBook
DTXSID10335017 EPA CompTox Dashboard
ZINC000002534483 ZINC
J146.410H Nikkaji
10008588 NMRShiftDB
NECMUD CCDC
522627 PubChem
766-98-3 ACToR
SCHEMBL186243 SureChEMBL
16080725 PubChem: Thomson Pharma
CHEMBL233810 ChEMBL
505044 eMolecules
The data in this table is sourced from UniChem at EBI.