Dataset

heteronuclear single quantum coherence (HSQC)

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

Chemical Info

molecular Image
InChI InChI=1S/C12H10N2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-8,13-14H
SMILES c1ccc2c(c1)Nc1c(N2)cccc1
InChI Key IVURTNNWJAPOML-UHFFFAOYSA-N
Molecular Formula C12H10N2
Exact Mass 182.221 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IVURTNNWJAPOML-UHFFFAOYSA-N/CHMO0000604
License URL
Source https://www.chemotion-repository.net/inchikey/IVURTNNWJAPOML-UHFFFAOYSA-N/CHMO0000604
Version
Author Fabian Schönle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T03:22:17.869144
MetadataModified 2024-09-08T03:22:17.869148
MetadataPublished 2024-04-25
Field Value
Measurement Technique heteronuclear single quantum coherence
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL624418 SureChEMBL
613-32-1 ACToR
30075627 eMolecules
345330 PubChem
70002174 NMRShiftDB
14843261 PubChem: Thomson Pharma
CB4481494 ChemicalBook
MTBLC132008 Metabolights
132008 Rhea
DTXSID80323047 EPA CompTox Dashboard
132008 ChEBI
ZINC000000586569 ZINC
J137.490G Nikkaji
MEMTED CCDC
The data in this table is sourced from UniChem at EBI.