Dataset

1H--1H correlation spectroscopy (1H-1H COSY)

Chemical Info

InChI	InChI=1S/C5H4O2/c6-3-5-1-2-7-4-5/h1-4H
SMILES	O=Cc1cocc1
InChI Key	AZVSIHIBYRHSLB-UHFFFAOYSA-N
Molecular Formula	C5H4O2
Exact Mass	96.084 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/AZVSIHIBYRHSLB-UHFFFAOYSA-N/CHMO0001150
License URL
Source	https://www.chemotion-repository.net/inchikey/AZVSIHIBYRHSLB-UHFFFAOYSA-N/CHMO0001150
Version
Author	Sylvia Vanderheiden-Schroen
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T03:55:54.916477
MetadataModified	2024-09-08T03:55:54.916483
MetadataPublished	2024-06-26

Field	Value
Measurement Technique	1H–1H correlation spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
MTBLC87609	Metabolights
55501	Brenda
23843	Brenda
CB0740540	ChemicalBook
120728	Brenda
494170	eMolecules
15461794	PubChem: Thomson Pharma
498-60-2	ACToR
POB632X444	FDA SRS
PD157968	ProbesDrugs
87609	ChEBI
50486228	BindingDB
HY-76224	MedChemExpress
J95.449G	Nikkaji
DTXSID40198076	EPA CompTox Dashboard
ZINC000002040441	ZINC
CHEMBL2228160	ChEMBL
SCHEMBL133204	SureChEMBL
10351	PubChem
20026153	NMRShiftDB
The data in this table is sourced from UniChem at EBI.