Dataset

heteronuclear multiple bond coherence (HMBC)

dataset for heteronuclear multiple bond coherence (HMBC)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C14H12N2/c1-11-6-5-9-16-10-13(15-14(11)16)12-7-3-2-4-8-12/h2-10H,1H3
SMILES Cc1cccn2c1nc(c2)c1ccccc1
InChI Key CZYPXIUACURBEQ-UHFFFAOYSA-N
Molecular Formula C14H12N2
Exact Mass 208.258 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/CZYPXIUACURBEQ-UHFFFAOYSA-N/CHMO0000601
License URL
Source https://www.chemotion-repository.net/inchikey/CZYPXIUACURBEQ-UHFFFAOYSA-N/CHMO0000601
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T05:41:57.872404
MetadataModified 2024-09-07T21:15:13.707257
MetadataPublished 2022-01-10
Field Value
Measurement Technique heteronuclear multiple bond coherence
Measurement Variables
Data-Source Molecule ID Data-Source
39531 BindingDB
ZINC000000073639 ZINC
DTXSID70349756 EPA CompTox Dashboard
J3.217.540F Nikkaji
MCULE-4695626931 Mcule
MolPort-000-425-463 MolPort
SCHEMBL4837433 SureChEMBL
659642 PubChem
710412 eMolecules
CHEMBL1310041 ChEMBL
The data in this table is sourced from UniChem at EBI.