Dataset

1H--1H correlation spectroscopy (1H-1H COSY)

dataset for 1H--1H correlation spectroscopy (1H-1H COSY)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C20H24O9S/c1-11(21)25-10-16-17(26-12(2)22)18(27-13(3)23)19(28-14(4)24)20(29-16)30-15-8-6-5-7-9-15/h5-9,16-20H,10H2,1-4H3/t16-,17-,18+,19-,20+/m1/s1
SMILES CC(=O)OC[C@H]1O[C@@H](Sc2ccccc2)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C
InChI Key JCKOUAWEMPKIAT-OBKDMQGPSA-N
Molecular Formula C20H24O9S
Exact Mass 440.464 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JCKOUAWEMPKIAT-OBKDMQGPSA-N/NMR/HHCOSY/CDCl3
License URL
Source https://www.chemotion-repository.net/inchikey/JCKOUAWEMPKIAT-OBKDMQGPSA-N/NMR/HHCOSY/CDCl3
Version
Author Marco Mende
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T00:08:49.129900
MetadataModified 2024-09-07T13:39:14.688533
MetadataPublished 2014-05-27
Field Value
Measurement Technique 1H–1H correlation spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
6364823 PubChem
SCHEMBL1029421 SureChEMBL
J1.036.457D Nikkaji
KOGNIF CCDC
MCULE-3899005349 Mcule
ZINC000008647943 ZINC
16150358 PubChem: Thomson Pharma
517154 eMolecules
CB1372579 ChemicalBook
The data in this table is sourced from UniChem at EBI.