Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C11H9BrN2/c12-9-3-5-10(6-4-9)14-8-11-2-1-7-13-11/h1-8,13H/b14-8+
SMILES	Brc1ccc(cc1)/N=C/c1ccc[nH]1
InChI Key	XZDGUUWUWKTGNG-RIYZIHGNSA-N
Exact Mass	249.107 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/XZDGUUWUWKTGNG-RIYZIHGNSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/XZDGUUWUWKTGNG-RIYZIHGNSA-N/CHMO0000595
Version
Author	Valentina Ferraro
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T03:19:43.844492
MetadataModified	2024-09-23T09:22:59.944983
MetadataPublished	2024-04-17

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables	Temperature : 303.0 K K Puls programme : zgpg30 Number of scans : 1024 Title : Jan12-2023 Date : 20230112 Start time : 22.53 h Instrument : Avance NEO Label : VF-169 ID : 106373 Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID	Data-Source
25844731	eMolecules
SCHEMBL2255726	SureChEMBL
The data in this table is sourced from UniChem at EBI.