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/C14H14O7/c1-7(15)11-5-12(19-8(2)16)14(21-10(4)18)13(6-11)20-9(3)17/h5-6H,1-4H3
SMILES CC(=O)Oc1c(OC(=O)C)cc(cc1OC(=O)C)C(=O)C
InChI Key GVZAEFDQALJFBL-UHFFFAOYSA-N
Molecular Formula C14H14O7
Exact Mass 294.257 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GVZAEFDQALJFBL-UHFFFAOYSA-N/NMR/1H/CDCl3/400
License URL
Source https://www.chemotion-repository.net/inchikey/GVZAEFDQALJFBL-UHFFFAOYSA-N/NMR/1H/CDCl3/400
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T00:07:36.968526
MetadataModified 2024-09-07T13:37:25.199155
MetadataPublished 2014-05-27
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
73427513 PubChem
The data in this table is sourced from UniChem at EBI.