infrared absorption spectroscopy (IR)

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(tll) DCAT-AP-PLUS(jsonld)

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

Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image

InChI	InChI=1S/C10H9BrO4/c1-14-9(12)6-4-3-5-7(8(6)11)10(13)15-2/h3-5H,1-2H3
SMILES	COC(=O)c1cccc(c1Br)C(=O)OC
InChI Key	GHPOMFOMBISJGM-UHFFFAOYSA-N
Exact Mass	273.080 g/mol

Data and Resources

infrared absorption spectroscopy (IR)HTML

Go to source

Metadata Information

Field	Value
DOI	10.14272/GHPOMFOMBISJGM-UHFFFAOYSA-N/CHMO0000630
License URL
Source	https://www.chemotion-repository.net/inchikey/GHPOMFOMBISJGM-UHFFFAOYSA-N/CHMO0000630
Version
Author	Janine Haug
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-09-16
Related Molecule

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
987813	surechembl
12699360	pubchem
Molport-020-233-947	molport
The data in this table is sourced from UniChem at EBI.