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/C21H24O6/c1-24-19-14-16(8-13-21(23)26-3)6-11-18(19)27-17-9-4-15(5-10-17)7-12-20(22)25-2/h4-6,9-11,14H,7-8,12-13H2,1-3H3
SMILES COC(=O)CCc1ccc(cc1)Oc1ccc(cc1OC)CCC(=O)OC
InChI Key SYWGPADQOCSBBG-UHFFFAOYSA-N
Molecular Formula C21H24O6
Exact Mass 372.412 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SYWGPADQOCSBBG-UHFFFAOYSA-N/NMR/13C/CDCl3/125.1
License URL
Source https://www.chemotion-repository.net/inchikey/SYWGPADQOCSBBG-UHFFFAOYSA-N/NMR/13C/CDCl3/125.1
Version
Author Nicole Jung
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T21:24:13.552120
MetadataModified 2024-09-07T13:51:38.061052
MetadataPublished 2014-08-30
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
11516262 PubChem
CHEMBL2269137 ChEMBL
ZINC000014620418 ZINC
J2.257.155I Nikkaji
16618244 PubChem: Thomson Pharma
70011139 NMRShiftDB
The data in this table is sourced from UniChem at EBI.