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/C15H10O4/c16-13(10-4-2-1-3-5-10)14(17)11-6-8-12(9-7-11)15(18)19/h1-9H,(H,18,19)
SMILES O=C(C(=O)c1ccccc1)c1ccc(cc1)C(=O)O
InChI Key MWJHDSAAGSURCA-UHFFFAOYSA-N
Molecular Formula C15H10O4
Exact Mass 254.238 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MWJHDSAAGSURCA-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/MWJHDSAAGSURCA-UHFFFAOYSA-N/CHMO0000593
Version
Author Julian Brückel
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T07:54:22.470968
MetadataModified 2024-09-07T23:44:53.088593
MetadataPublished 2022-11-04
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL2156860 SureChEMBL
2385968 PubChem
831030 eMolecules
ZINC000003269660 ZINC
79887 Brenda
MCULE-7710064147 Mcule
22736 BindingDB
DTXSID10368385 EPA CompTox Dashboard
CHEMBL370059 ChEMBL
The data in this table is sourced from UniChem at EBI.