Dataset

heteronuclear single quantum coherence (HSQC)

dataset for heteronuclear single quantum coherence (HSQC)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C13H9ClN2/c14-11-7-4-8-16-9-12(15-13(11)16)10-5-2-1-3-6-10/h1-9H
SMILES Clc1cccn2c1nc(c2)c1ccccc1
InChI Key GSUJVBYDVUYTAD-UHFFFAOYSA-N
Molecular Formula C13H9ClN2
Exact Mass 228.677 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GSUJVBYDVUYTAD-UHFFFAOYSA-N/CHMO0000604
License URL
Source https://www.chemotion-repository.net/inchikey/GSUJVBYDVUYTAD-UHFFFAOYSA-N/CHMO0000604
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T00:42:08.742670
MetadataModified 2024-09-08T00:42:08.742678
MetadataPublished 2023-03-03
Field Value
Measurement Technique heteronuclear single quantum coherence
Measurement Variables
Data-Source Molecule ID Data-Source
9991396 PubChem
14970093 PubChem: Thomson Pharma
ZINC000034062610 ZINC
J3.236.474H Nikkaji
SCHEMBL24307129 SureChEMBL
The data in this table is sourced from UniChem at EBI.