Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C10H6O4/c11-9(7-3-1-5-13-7)10(12)8-4-2-6-14-8/h1-6H
SMILES O=C(C(=O)c1ccco1)c1ccco1
InChI Key SXPUVBFQXJHYNS-UHFFFAOYSA-N
Molecular Formula C10H6O4
Exact Mass 190.152 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SXPUVBFQXJHYNS-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/SXPUVBFQXJHYNS-UHFFFAOYSA-N/CHMO0000593
Version
Author N. Maximilian Bojanowski
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T07:53:23.285068
MetadataModified 2024-09-07T23:43:35.895408
MetadataPublished 2022-11-04
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
68119 PubChem
15923468 PubChem: Thomson Pharma
492-94-4 ACToR
3AFE4C3P1F FDA SRS
481258 eMolecules
80052 Brenda
SCHEMBL15233 SureChEMBL
10257 NMRShiftDB
CB2246905 ChemicalBook
MCULE-9692660904 Mcule
240742 Brenda
DTXSID3049413 EPA CompTox Dashboard
ZINC000001687010 ZINC
50171927 BindingDB
J6.063A Nikkaji
FIYVUE CCDC
CHEMBL371181 ChEMBL
The data in this table is sourced from UniChem at EBI.