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/C14H22O6/c15-5-7-17-9-11-19-13-3-1-2-4-14(13)20-12-10-18-8-6-16/h1-4,15-16H,5-12H2
SMILES OCCOCCOc1ccccc1OCCOCCO
InChI Key RNPJMMIXCCKRRD-UHFFFAOYSA-N
Molecular Formula C14H22O6
Exact Mass 286.321 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RNPJMMIXCCKRRD-UHFFFAOYSA-N/NMR/13C/CDCl3/75
License URL
Source https://www.chemotion-repository.net/inchikey/RNPJMMIXCCKRRD-UHFFFAOYSA-N/NMR/13C/CDCl3/75
Version
Author Sylvain Grosjean
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T22:40:13.550685
MetadataModified 2024-09-07T12:02:22.329566
MetadataPublished 2014-05-27
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
3310659 PubChem
SCHEMBL3336500 SureChEMBL
6176672 eMolecules
CHEMBL1733549 ChEMBL
J1.483.733G Nikkaji
MCULE-2283153983 Mcule
MolPort-000-255-097 MolPort
ZINC000003157017 ZINC
The data in this table is sourced from UniChem at EBI.