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/C16H10O6/c17-13(9-1-5-11(6-2-9)15(19)20)14(18)10-3-7-12(8-4-10)16(21)22/h1-8H,(H,19,20)(H,21,22)
SMILES O=C(C(=O)c1ccc(cc1)C(=O)O)c1ccc(cc1)C(=O)O
InChI Key BQDSQOCMNSRCGT-UHFFFAOYSA-N
Molecular Formula C16H10O6
Exact Mass 298.247 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BQDSQOCMNSRCGT-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/BQDSQOCMNSRCGT-UHFFFAOYSA-N/CHMO0000593
Version
Author Julian Brückel
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T07:54:09.516981
MetadataModified 2024-09-07T23:44:35.983647
MetadataPublished 2022-11-04
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL598882 SureChEMBL
66739277 PubChem
J2.672.202K Nikkaji
CB54797877 ChemicalBook
The data in this table is sourced from UniChem at EBI.