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/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/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/XIPATZUHJFQGQC-UHFFFAOYSA-N/CHMO0000595
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T01:51:38.075110
MetadataModified 2024-09-23T09:44:34.653045
MetadataPublished
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Temperature : 300.0 K K

Puls programme : zgpg30

Temperature : 300.0 K K

Puls programme : zgpg30

Number of scans : 512

Title : SG-CCP-3628

Date : 20231103

Start time : 16.28 h

Instrument : spect

Label : CCP-3456

ID : 271786

Solvent : chloroform-D1 (CDCl3)

Number of scans : 512

Title : SG-CCP-3628

Date : 20231103

Start time : 19.11 h

Instrument : spect

Label : CCP-3456

ID : 271786

Solvent : DMSO