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/C8H6O2/c9-5-7-2-1-3-8(4-7)6-10/h1-6H
SMILES O=Cc1cccc(c1)C=O
InChI Key IZALUMVGBVKPJD-UHFFFAOYSA-N
Molecular Formula C8H6O2
Exact Mass 134.132 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IZALUMVGBVKPJD-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/IZALUMVGBVKPJD-UHFFFAOYSA-N/CHMO0001150
Version
Author Grace Hunt
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T04:25:20.990299
MetadataModified 2024-09-08T04:25:20.990303
MetadataPublished 2024-08-07
Field Value
Measurement Technique 1H–1H correlation spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
MCULE-3097604055 Mcule
CHEMBL2289228 ChEMBL
J53.655E Nikkaji
ZINC000000005774 ZINC
IHEMIR CCDC
CB4192705 ChemicalBook
151176 Brenda
106346 Brenda
20096890 NMRShiftDB
34777 PubChem
SCHEMBL180566 SureChEMBL
626-19-7 ACToR
14747703 PubChem: Thomson Pharma
LU162B2N9X FDA SRS
478416 eMolecules
30025-33-3 ACToR
The data in this table is sourced from UniChem at EBI.