Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C15H24O7S/c1-14-2-4-15(5-3-14)23(17,18)22-13-12-21-11-10-20-9-8-19-7-6-16/h2-5,16H,6-13H2,1H3
SMILES OCCOCCOCCOCCOS(=O)(=O)c1ccc(cc1)C
InChI Key FGDJUEZBMFELRW-UHFFFAOYSA-N
Molecular Formula C15H24O7S
Exact Mass 348.412 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FGDJUEZBMFELRW-UHFFFAOYSA-N/NMR/1H/CDCl3/300
License URL
Source https://www.chemotion-repository.net/inchikey/FGDJUEZBMFELRW-UHFFFAOYSA-N/NMR/1H/CDCl3/300
Version
Author Sylvain Grosjean
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T22:50:31.644338
MetadataModified 2024-09-07T12:06:02.023371
MetadataPublished 2014-05-27
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
J1.259.879C Nikkaji
MolPort-023-278-310 MolPort
ZINC000039649656 ZINC
HY-41541 MedChemExpress
SCHEMBL916053 SureChEMBL
13456094 PubChem
92302795 PubChem: Thomson Pharma
The data in this table is sourced from UniChem at EBI.