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/C7H6BrNO3/c1-4-2-5(8)7(10)3-6(4)9(11)12/h2-3,10H,1H3
SMILES [O-][N+](=O)c1cc(O)c(cc1C)Br
InChI Key UNDCYNWWVCTFES-UHFFFAOYSA-N
Molecular Formula C7H6BrNO3
Exact Mass 232.031 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UNDCYNWWVCTFES-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/UNDCYNWWVCTFES-UHFFFAOYSA-N/CHMO0000595
Version
Author Niklas Krappel
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T01:25:54.239227
MetadataModified 2024-09-08T01:25:54.239232
MetadataPublished 2023-07-31
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
MolPort-032-663-257 MolPort
SCHEMBL9867327 SureChEMBL
13884685 PubChem
DTXSID90551859 EPA CompTox Dashboard
ZINC000034175002 ZINC
The data in this table is sourced from UniChem at EBI.