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/C8H6IN/c9-7-2-1-6-3-4-10-8(6)5-7/h1-5,10H
SMILES Ic1ccc2c(c1)[nH]cc2
InChI Key UYFYWUXBZHYQRM-UHFFFAOYSA-N
Molecular Formula C8H6IN
Exact Mass 243.044 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UYFYWUXBZHYQRM-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/UYFYWUXBZHYQRM-UHFFFAOYSA-N/CHMO0000593
Version
Author Niklas Krappel
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T01:23:28.158222
MetadataModified 2024-09-08T01:23:28.158227
MetadataPublished 2023-07-31
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
MolPort-023-334-275 MolPort
J2.076.890H Nikkaji
19232190 eMolecules
10999215 PubChem
16059033 PubChem: Thomson Pharma
SCHEMBL566682 SureChEMBL
DTXSID60451352 EPA CompTox Dashboard
ZINC000042689367 ZINC
CB32452233 ChemicalBook
The data in this table is sourced from UniChem at EBI.