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/C18H12O5/c19-12-8-6-11(7-9-12)14-17(22)15(20)13(16(21)18(14)23)10-4-2-1-3-5-10/h1-9,19-20,23H
SMILES Oc1ccc(cc1)C1=C(O)C(=O)C(=C(C1=O)O)c1ccccc1
InChI Key PNTORJXTFRBTDZ-UHFFFAOYSA-N
Molecular Formula C18H12O5
Exact Mass 308.285 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PNTORJXTFRBTDZ-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/PNTORJXTFRBTDZ-UHFFFAOYSA-N/CHMO0000593
Version
Author Anja Schueffler
Maintainer Chemotion Repository
Language english
MetadataCreated 2025-04-06T02:01:56.311326
MetadataModified 2025-04-06T02:16:58.395720
MetadataPublished 2025-04-03
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