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/C18H26O10/c1-5-8-24-18-17(26-12(4)22)16(25-11(3)21)15(13(9-19)27-18)28-14(23)7-6-10(2)20/h5,13,15-19H,1,6-9H2,2-4H3/t13-,15-,16+,17-,18-/m1/s1
SMILES C=CCO[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)CCC(=O)C
InChI Key CFFINMFYAVGYTE-SOVHRIKKSA-N
Molecular Formula C18H26O10
Exact Mass 402.393 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/CFFINMFYAVGYTE-SOVHRIKKSA-N/NMR/13C/CDCl3/75
License URL
Source https://www.chemotion-repository.net/inchikey/CFFINMFYAVGYTE-SOVHRIKKSA-N/NMR/13C/CDCl3/75
Version
Author Marco Mende
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T00:00:34.333738
MetadataModified 2024-09-07T13:26:56.634823
MetadataPublished 2014-05-27
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
73427499 PubChem
The data in this table is sourced from UniChem at EBI.