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/C12H8O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H
SMILES c1ccc2c(c1)oc1c2cccc1
InChI Key TXCDCPKCNAJMEE-UHFFFAOYSA-N
Molecular Formula C12H8O
Exact Mass 168.191 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/TXCDCPKCNAJMEE-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/TXCDCPKCNAJMEE-UHFFFAOYSA-N/CHMO0001150
Version
Author Grace Hunt
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T04:29:05.718747
MetadataModified 2024-09-08T04:29:05.718752
MetadataPublished 2024-08-09
Field Value
Measurement Technique 1H–1H correlation spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
C07729 KEGG Ligand
1IT PDBe
CHEMBL277497 ChEMBL
28145 ChEBI
13277 Brenda
DTXSID2021993 EPA CompTox Dashboard
DBZFUR CCDC
J2.522D Nikkaji
HMDB0251164 Human Metabolome Database
ZINC000003861058 ZINC
15339646 PubChem: Thomson Pharma
SCHEMBL8207 SureChEMBL
132-64-9 ACToR
8U54U639VI FDA SRS
48985 Brenda
28145 Rhea
50408362 BindingDB
CB0338385 ChemicalBook
MCULE-9430669072 Mcule
568 PubChem
10008777 NMRShiftDB
490003 eMolecules
The data in this table is sourced from UniChem at EBI.