Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C8H7ClN2O/c1-12-7-4-2-6(3-5-7)8(9)10-11-8/h2-5H,1H3
SMILES	COc1ccc(cc1)C1(Cl)N=N1
InChI Key	SXAZXNYWEPKNNS-UHFFFAOYSA-N
Exact Mass	182.607 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/SXAZXNYWEPKNNS-UHFFFAOYSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/SXAZXNYWEPKNNS-UHFFFAOYSA-N/CHMO0000595
Version
Author	Tilman Hans Köhler
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T03:40:57.548367
MetadataModified	2024-09-23T09:24:25.443453
MetadataPublished	2024-05-21

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables	Temperature : 298.0 K K Puls programme : zgpg30 Number of scans : 1024 Title : Feb19-2024 Date : 20240220 Start time : 6.29 h Instrument : Avance NEO Label : KT-737 ID : 296140 Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID	Data-Source
J574.211K	Nikkaji
11665508	PubChem
16769201	PubChem: Thomson Pharma
The data in this table is sourced from UniChem at EBI.