Dataset

heteronuclear single quantum coherence total correlation spectroscopy (HSQC-TOCSY)

Chemical Info

InChI	InChI=1S/C22H15NS/c1-3-8-20-18(6-1)19-7-2-4-9-21(19)23(20)17-13-11-16(12-14-17)22-10-5-15-24-22/h1-15H
SMILES	c1csc(c1)c1ccc(cc1)n1c2ccccc2c2c1cccc2
InChI Key	LYHCDNSWOORSGH-UHFFFAOYSA-N
Molecular Formula	C22H15NS
Exact Mass	325.426 g/mol

Data and Resources

• heteronuclear single quantum coherence total...HTML
  Explore

  • More information
  • Go to resource

• heteronuclear-singl...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/LYHCDNSWOORSGH-UHFFFAOYSA-N/CHMO0001071
License URL
Source	https://www.chemotion-repository.net/inchikey/LYHCDNSWOORSGH-UHFFFAOYSA-N/CHMO0001071
Version
Author	Steffen Otterbach
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T01:57:54.051317
MetadataModified	2024-09-08T01:57:54.051321
MetadataPublished	2023-11-13

Field	Value
Measurement Technique	heteronuclear single quantum coherence total correlation spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
101783585	PubChem
OXULUQ	CCDC
J2.931.957J	Nikkaji
The data in this table is sourced from UniChem at EBI.