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/C18H24N2O6S2/c1-7-23-15(21)11-9-14(26-18(28)20(5)6)12(16(22)24-8-2)10-13(11)25-17(27)19(3)4/h9-10H,7-8H2,1-6H3
SMILES CCOC(=O)c1cc(OC(=S)N(C)C)c(cc1OC(=S)N(C)C)C(=O)OCC
InChI Key MPVDFULDOTUMJO-UHFFFAOYSA-N
Molecular Formula C18H24N2O6S2
Exact Mass 428.523 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MPVDFULDOTUMJO-UHFFFAOYSA-N/NMR/13C/CDCl3/125
License URL
Source https://www.chemotion-repository.net/inchikey/MPVDFULDOTUMJO-UHFFFAOYSA-N/NMR/13C/CDCl3/125
Version
Author Sylvain Grosjean
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T23:56:41.673555
MetadataModified 2024-09-07T13:21:10.809630
MetadataPublished 2014-05-27
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
OGIGUJ CCDC
560391 PubChem
SCHEMBL2508212 SureChEMBL
The data in this table is sourced from UniChem at EBI.