1H nuclear magnetic resonance spectroscopy (1H NMR)

Repository

Chemotion - Repository

The Chemotion Repository contains various analytical data of molecules like NMR, MS, IR or UV Spectra. Chemotion (as of May 2022) contains 9719 analytical datasets (3930 NMR,...

License

No License Provided

Export

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

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

Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)\n\n

Chemical Info

molecular Image

InChI	InChI=1S/C8H6Br2O3/c1-3(11)6-7(12)4(9)2-5(10)8(6)13/h2,12-13H,1H3
SMILES	CC(=O)c1c(O)c(Br)cc(c1O)Br
InChI Key	GHPWLLSLLWHDPT-UHFFFAOYSA-N
Exact Mass	309.939 g/mol

Data and Resources

1H nuclear magnetic resonance spectroscopy (1H NMR)HTML
Explore
- More information
- Go to resource

Metadata Information

Field	Value
DOI	10.14272/GHPWLLSLLWHDPT-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/GHPWLLSLLWHDPT-UHFFFAOYSA-N/CHMO0000593
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T04:35:58.568652
MetadataModified	2024-09-23T09:26:56.264733
MetadataPublished	2024-08-30

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables	temperature : 300.0 K PULPROG : zg30 number of scans : 16 scans title : SG-V4075(10-20) date : 20240111 starting time : 15.26 h instrument : spect label : SG-3482 id : 290385 Solvent : chloroform-D1 (CDCl3)