Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C6H4N2Se/c1-2-4-6-5(3-1)7-9-8-6/h1-4H
SMILES	c1ccc2c(c1)n[se]n2
InChI Key	AYTPIVIDHMVGSX-UHFFFAOYSA-N
Exact Mass	183.069 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/AYTPIVIDHMVGSX-UHFFFAOYSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/AYTPIVIDHMVGSX-UHFFFAOYSA-N/CHMO0000595
Version
Author	Valentina Ferraro
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T04:15:53.565919
MetadataModified	2024-09-23T09:25:37.159926
MetadataPublished	2024-07-23

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables	Temperature : 298.0 K K Puls programme : zgpg30 Number of scans : 1024 Title : Mar04-2024 Date : 20240305 Start time : 2.27 h Instrument : Avance NEO Label : VF-875 ID : 115827 Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID	Data-Source
67503	PubChem
534891	eMolecules
273-15-4	ACToR
44Z4759EKU	FDA SRS
DTXSID60181743	EPA CompTox Dashboard
104171897	PubChem: Thomson Pharma
J99.481B	Nikkaji
BESEAZ	CCDC
CB1928707	ChemicalBook
MCULE-1218109825	Mcule
SCHEMBL766609	SureChEMBL
10016251	NMRShiftDB
The data in this table is sourced from UniChem at EBI.