Dataset

heteronuclear single quantum coherence (HSQC)

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

Chemical Info

molecular Image
InChI InChI=1S/C11H8N2/c1-2-9-7-13-11-4-3-8(6-12)5-10(9)11/h2-5,7,13H,1H2
SMILES C=Cc1c[nH]c2c1cc(C#N)cc2
InChI Key OHIGKOFNMGVKOJ-UHFFFAOYSA-N
Molecular Formula C11H8N2
Exact Mass 168.195 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/OHIGKOFNMGVKOJ-UHFFFAOYSA-N/CHMO0000604
License URL
Source https://www.chemotion-repository.net/inchikey/OHIGKOFNMGVKOJ-UHFFFAOYSA-N/CHMO0000604
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T01:58:39.083532
MetadataModified 2024-09-08T01:58:39.083538
MetadataPublished 2023-11-14
Field Value
Measurement Technique heteronuclear single quantum coherence
Measurement Variables
Data-Source Molecule ID Data-Source
169408878 PubChem
The data in this table is sourced from UniChem at EBI.