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/C13H11F/c1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12/h2-9H,1H3
SMILES Cc1ccc(cc1)c1ccc(cc1)F
InChI Key JSBJQQZPQJIGFJ-UHFFFAOYSA-N
Molecular Formula C13H11F
Exact Mass 186.225 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JSBJQQZPQJIGFJ-UHFFFAOYSA-N/NMR/1H/CDCl3/250
License URL
Source https://www.chemotion-repository.net/inchikey/JSBJQQZPQJIGFJ-UHFFFAOYSA-N/NMR/1H/CDCl3/250
Version
Author Bekir Bulat
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T23:32:43.186030
MetadataModified 2024-09-07T12:45:27.824245
MetadataPublished 2014-05-27
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
DTXSID70433381 EPA CompTox Dashboard
ZINC000059975230 ZINC
CB72595743 ChemicalBook
9964281 PubChem
J1.592.496I Nikkaji
SCHEMBL422511 SureChEMBL
14940899 PubChem: Thomson Pharma
The data in this table is sourced from UniChem at EBI.