Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C6H10BrNO/c7-8-5-3-1-2-4-6(8)9/h1-5H2
SMILES	BrN1CCCCCC1=O
InChI Key	GJNCXCPHNRATIQ-UHFFFAOYSA-N
Exact Mass	192.054 g/mol

Data and Resources

• 13C nuclear magnetic resonance spectroscopy (13C NMR)HTML
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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/GJNCXCPHNRATIQ-UHFFFAOYSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/GJNCXCPHNRATIQ-UHFFFAOYSA-N/CHMO0000595
Version
Author	Tilman Hans Köhler
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T03:29:15.213893
MetadataModified	2024-09-23T09:23:24.562748
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 : Nov20-2023 Date : 20231121 Start time : 0.55 h Instrument : Avance NEO Label : KT-480 ID : 284221 Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID	Data-Source
MCULE-9229859393	Mcule
ZINC000005184883	ZINC
J216.080C	Nikkaji
75541	PubChem
888508	eMolecules
SCHEMBL926389	SureChEMBL
14968621	PubChem: Thomson Pharma
2439-83-0	ACToR
The data in this table is sourced from UniChem at EBI.