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/C6H4ClNO/c7-5-1-2-8-6(3-5)4-9/h1-4H
SMILES Clc1cc(C=O)ncc1
InChI Key NZLNQSUMFSPISS-UHFFFAOYSA-N
Molecular Formula C6H4ClNO
Exact Mass 141.555 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NZLNQSUMFSPISS-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/NZLNQSUMFSPISS-UHFFFAOYSA-N/CHMO0000593
Version
Author Alexander Hoffmann
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T06:55:09.908906
MetadataModified 2024-09-07T22:27:04.597372
MetadataPublished 2022-07-09
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
MCULE-3446786366 Mcule
SCHEMBL613748 SureChEMBL
J2.333.438K Nikkaji
DTXSID20376779 EPA CompTox Dashboard
ZINC000014008093 ZINC
8295144 eMolecules
2763166 PubChem
CB6782472 ChemicalBook
The data in this table is sourced from UniChem at EBI.