Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C22H16O2S3/c1-23-15-7-3-13(4-8-15)17-11-19-21(26-17)22-20(25-19)12-18(27-22)14-5-9-16(24-2)10-6-14/h3-12H,1-2H3
SMILES	COc1ccc(cc1)c1sc2c(c1)sc1c2sc(c1)c1ccc(cc1)OC
InChI Key	XLIQIYOAGNXVLO-UHFFFAOYSA-N
Molecular Formula	C22H16O2S3
Exact Mass	408.556 g/mol

Data and Resources

• 1H nuclear magnetic resonance spectroscopy (1H NMR)HTML
  Explore

  • More information
  • Go to resource

• 1h-nuclear-magnetic...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/XLIQIYOAGNXVLO-UHFFFAOYSA-N/NMR/1H/DMSO/400.1
License URL
Source	https://www.chemotion-repository.net/inchikey/XLIQIYOAGNXVLO-UHFFFAOYSA-N/NMR/1H/DMSO/400.1
Version
Author	Peter Oechsle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T21:24:34.061602
MetadataModified	2024-09-07T13:52:33.485135
MetadataPublished	2014-09-25
Related Molecule

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
78210305	PubChem
J3.319.526E	Nikkaji
The data in this table is sourced from UniChem at EBI.