Dataset

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

dataset for heteronuclear single quantum coherence total correlation spectroscopy (HSQC-TOCSY)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C22H17NS/c1-3-8-19(9-4-1)23(20-10-5-2-6-11-20)21-15-13-18(14-16-21)22-12-7-17-24-22/h1-17H
SMILES c1ccc(cc1)N(c1ccccc1)c1ccc(cc1)c1cccs1
InChI Key XXGGHEHNQKJOBO-UHFFFAOYSA-N
Molecular Formula C22H17NS
Exact Mass 327.442 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XXGGHEHNQKJOBO-UHFFFAOYSA-N/CHMO0001071
License URL
Source https://www.chemotion-repository.net/inchikey/XXGGHEHNQKJOBO-UHFFFAOYSA-N/CHMO0001071
Version
Author Steffen Otterbach
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T01:57:38.145981
MetadataModified 2024-09-08T01:57:38.145986
MetadataPublished 2023-11-13
Field Value
Measurement Technique heteronuclear single quantum coherence total correlation spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
59253725 PubChem
SCHEMBL867469 SureChEMBL
J2.965.770J Nikkaji
The data in this table is sourced from UniChem at EBI.