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/C5H2Br2N2O2/c6-4-1-3(9(10)11)2-5(7)8-4/h1-2H
SMILES Brc1cc(cc(n1)Br)[N+](=O)[O-]
InChI Key XIPATZUHJFQGQC-UHFFFAOYSA-N
Exact Mass 281.890 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XIPATZUHJFQGQC-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/XIPATZUHJFQGQC-UHFFFAOYSA-N/CHMO0000593
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T01:51:42.400386
MetadataModified 2024-09-23T09:20:21.079718
MetadataPublished 2023-11-07
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
temperature : 300.0 K

PULPROG : zg30

number of scans : 16 scans

title : SG-CCP-3628

date : 20231103

starting time : 15.58 h

instrument : spect

label : CCP-3456

id : 271786

Solvent : chloroform-D1 (CDCl3)

temperature : 300.0 K

PULPROG : zg30

number of scans : 16 scans

title : SG-CCP-3628

date : 20231103

starting time : 18.41 h

instrument : spect

label : CCP-3456

id : 271786

Solvent : DMSO