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/C9H10BrN/c10-9-3-1-2-7-4-5-11-6-8(7)9/h1-3,11H,4-6H2
SMILES Brc1cccc2c1CNCC2
InChI Key KHWGHUZYXQPIKA-UHFFFAOYSA-N
Molecular Formula C9H10BrN
Exact Mass 212.086 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KHWGHUZYXQPIKA-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/KHWGHUZYXQPIKA-UHFFFAOYSA-N/CHMO0000593
Version
Author Jana Alpin
Maintainer Chemotion Repository
Language english
MetadataCreated 2025-02-04T13:26:06.930189
MetadataModified 2025-02-04T13:26:06.930195
MetadataPublished 2025-01-08
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
ZINC000038540946 ZINC
SCHEMBL3177381 SureChEMBL
32233889 eMolecules
12630420 PubChem
CB8547345 ChemicalBook
DTXSID90504986 EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.