Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Info

molecular Image
InChI InChI=1S/C12H9F/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H
SMILES Fc1ccccc1c1ccccc1
InChI Key KLECYOQFQXJYBC-UHFFFAOYSA-N
Molecular Formula C12H9F
Exact Mass 172.198 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KLECYOQFQXJYBC-UHFFFAOYSA-N/NMR/1H/CDCl3/250
License URL
Source https://www.chemotion-repository.net/inchikey/KLECYOQFQXJYBC-UHFFFAOYSA-N/NMR/1H/CDCl3/250
Version
Author Bekir Bulat
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T23:32:50.426879
MetadataModified 2024-09-07T12:45:40.018176
MetadataPublished 2014-05-27
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
321-60-8 ACToR
16496126 PubChem: Thomson Pharma
20180016 NMRShiftDB
YUYXIZ CCDC
J27B Nikkaji
SCHEMBL201614 SureChEMBL
67579 PubChem
ZINC000001706194 ZINC
DTXSID5047744 EPA CompTox Dashboard
MCULE-5270722466 Mcule
CB7329661 ChemicalBook
CHEMBL122521 ChEMBL
477773 eMolecules
The data in this table is sourced from UniChem at EBI.