Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C7H5IO2/c8-6-3-5(4-9)1-2-7(6)10/h1-4,10H
SMILES O=Cc1ccc(c(c1)I)O
InChI Key KNQVIRRXVOTGGT-UHFFFAOYSA-N
Molecular Formula C7H5IO2
Exact Mass 248.018 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KNQVIRRXVOTGGT-UHFFFAOYSA-N/NMR/13C/CDCl3/62.5
License URL
Source https://www.chemotion-repository.net/inchikey/KNQVIRRXVOTGGT-UHFFFAOYSA-N/NMR/13C/CDCl3/62.5
Version
Author Nicole Jung
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T23:45:54.629838
MetadataModified 2024-09-07T13:05:05.474217
MetadataPublished 2014-05-27
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
858469 eMolecules
968881 PubChem
SCHEMBL151496 SureChEMBL
14823378 PubChem: Thomson Pharma
60032-63-5 ACToR
CB2670579 ChemicalBook
ZINC000000586305 ZINC
J323.510F Nikkaji
DTXSID40359529 EPA CompTox Dashboard
MCULE-5276741084 Mcule
The data in this table is sourced from UniChem at EBI.