13C nuclear magnetic resonance spectroscopy (13C NMR)

Repository

Chemotion - Repository

The Chemotion - Repository covers research data assigned to molecules, their properties and characterization, as well as reactions and experimental investigations. It is hosted...

License

No License Provided

Export

DCAT-AP(rdf/xml) DCAT-AP(ttl) DCAT-AP(jsonld) DCAT-AP-PLUS(xml) DCAT-AP-PLUS(ttl) DCAT-AP-PLUS(jsonld)

ChemDCAT-AP(xml) ChemDCAT-AP(jsonld) ChemDCAT-AP(ttl)

Schema.Org(rdf/xml) Schema.Org(xml) Schema.Org(ttl) Schema.Org(jsonld)

Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

molecular Image

InChI	InChI=1S/C12H11BrO/c1-8-9(6-7-12(8)14)10-4-2-3-5-11(10)13/h2-5H,6-7H2,1H3
SMILES	O=C1CCC(=C1C)c1ccccc1Br
InChI Key	JIVYDUPDRZGIKL-UHFFFAOYSA-N
Exact Mass	251.119 g/mol

Data and Resources

13C nuclear magnetic resonance spectroscopy (13C NMR)HTML

Go to source

Metadata Information

Field	Value
DOI	10.14272/JIVYDUPDRZGIKL-UHFFFAOYSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/JIVYDUPDRZGIKL-UHFFFAOYSA-N/CHMO0000595
Version
Author	Thorsten Bach
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-11-24
Related Molecule

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
177693382	pubchem
The data in this table is sourced from UniChem at EBI.