Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C17H16O6/c1-20-14-9-6-12(17(19)22-3)10-15(14)23-13-7-4-11(5-8-13)16(18)21-2/h4-10H,1-3H3
SMILES COc1ccc(cc1Oc1ccc(cc1)C(=O)OC)C(=O)OC
InChI Key DJUWZELLSVEECO-UHFFFAOYSA-N
Molecular Formula C17H16O6
Exact Mass 316.305 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DJUWZELLSVEECO-UHFFFAOYSA-N/NMR/13C/CDCl3/62.5.1
License URL
Source https://www.chemotion-repository.net/inchikey/DJUWZELLSVEECO-UHFFFAOYSA-N/NMR/13C/CDCl3/62.5.1
Version
Author Frederic Witkind Hirth
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T21:20:49.791471
MetadataModified 2024-09-07T13:46:58.197425
MetadataPublished 2014-08-21
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
628971 PubChem
J2.417.758K Nikkaji
ZINC000001044382 ZINC
15870285 PubChem: Thomson Pharma
60027977 NMRShiftDB
The data in this table is sourced from UniChem at EBI.