correlation spectroscopy (COSY)

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

License Not Specified

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

correlation spectroscopy (COSY)

dataset for correlation spectroscopy (COSY)\n\n

Chemical Info

InChI	InChI=1S/C9H10O3/c1-6-3-8(11)5-9(4-6)12-7(2)10/h3-5,11H,1-2H3
SMILES	CC(=O)Oc1cc(C)cc(c1)O
InChI Key	WNNFOAQKFKIJQP-UHFFFAOYSA-N
Exact Mass	166.174 g/mol

Data and Resources

correlation spectroscopy (COSY)HTML
Explore
- More information
- Go to resource

Metadata Information

Field	Value
DOI	10.14272/WNNFOAQKFKIJQP-UHFFFAOYSA-N/CHMO0000599
License URL
Source	https://www.chemotion-repository.net/inchikey/WNNFOAQKFKIJQP-UHFFFAOYSA-N/CHMO0000599
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T02:15:08.050997
MetadataModified	2024-09-17T11:54:51.622228
MetadataPublished
Related Molecule

Data-Source Molecule ID	Data-Source
22722640	PubChem
J152.643J	Nikkaji
SCHEMBL6749439	SureChEMBL
The data in this table is sourced from UniChem at EBI.

Field	Value
Measurement Technique	correlation spectroscopy
Measurement Variables	temperature : 300.0 K PULPROG : cosygpppqf number of scans : 1 scans title : SG-v4016 (8-15) date : 20231107 starting time : 0.05 h instrument : spect label : SG-3399 id : 281949 Solvent : chloroform-D1 (CDCl3)