Dataset

nuclear magnetic resonance spectroscopy (NMR)

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

Chemical Info

molecular Image
InChI InChI=1S/C18H12O6/c19-11-5-1-9(2-6-11)13-15(21)17(23)14(18(24)16(13)22)10-3-7-12(20)8-4-10/h1-8,19-21,24H
SMILES Oc1ccc(cc1)C1=C(O)C(=O)C(=C(C1=O)O)c1ccc(cc1)O
InChI Key FKQQKMGWCJGUCS-UHFFFAOYSA-N
Molecular Formula C18H12O6
Exact Mass 324.284 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FKQQKMGWCJGUCS-UHFFFAOYSA-N/CHMO0000591
License URL
Source https://www.chemotion-repository.net/inchikey/FKQQKMGWCJGUCS-UHFFFAOYSA-N/CHMO0000591
Version
Author Anja Schueffler
Maintainer Chemotion Repository
Language english
MetadataCreated 2025-04-06T02:00:28.628232
MetadataModified 2025-04-06T02:15:26.384353
MetadataPublished 2025-04-03
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