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/C14H10O5/c15-8-11-12(17)6-10(16)7-13(11)19-14(18)9-4-2-1-3-5-9/h1-8,16-17H
SMILES O=Cc1c(cc(cc1O)O)OC(=O)c1ccccc1
InChI Key NQGFNZGQTUVDDL-UHFFFAOYSA-N
Molecular Formula C14H10O5
Exact Mass 258.226 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NQGFNZGQTUVDDL-UHFFFAOYSA-N/NMR/1H/MeOD/400
License URL
Source https://www.chemotion-repository.net/inchikey/NQGFNZGQTUVDDL-UHFFFAOYSA-N/NMR/1H/MeOD/400
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T23:37:48.766966
MetadataModified 2024-09-07T12:53:01.408290
MetadataPublished 2014-05-27
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
122581 PubChem
J319.358F Nikkaji
SCHEMBL5692519 SureChEMBL
DTXSID20186032 EPA CompTox Dashboard
32292-78-7 ACToR
The data in this table is sourced from UniChem at EBI.