Dataset

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

dataset for 1H--1H correlation spectroscopy (1H-1H COSY)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C10H10O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6H,3,5,7H2
SMILES O=C1CCCc2c1cccc2
InChI Key XHLHPRDBBAGVEG-UHFFFAOYSA-N
Molecular Formula C10H10O
Exact Mass 146.186 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XHLHPRDBBAGVEG-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/XHLHPRDBBAGVEG-UHFFFAOYSA-N/CHMO0001150
Version
Author Alex Johnson
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T04:20:15.862667
MetadataModified 2024-09-08T04:20:15.862672
MetadataPublished 2024-08-06
Field Value
Measurement Technique 1H–1H correlation spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL193373 ChEMBL
21444 Brenda
48392 Brenda
CB7903647 ChemicalBook
DTXSID2027175 EPA CompTox Dashboard
J6.684B Nikkaji
HMDB0248243 Human Metabolome Database
PASHEX CCDC
50159254 BindingDB
175031 Brenda
CB7357499 ChemicalBook
7745 Brenda
204281 Brenda
176004 Brenda
51336 Brenda
ZINC000003860775 ZINC
10008887 NMRShiftDB
MCULE-2380271774 Mcule
10724 PubChem
6VT52A15HY FDA SRS
529-34-0 ACToR
14916116 PubChem: Thomson Pharma
SCHEMBL44545 SureChEMBL
15146807 PubChem: Thomson Pharma
29059-07-2 ACToR
532132 eMolecules
The data in this table is sourced from UniChem at EBI.