Dataset

heteronuclear multiple bond coherence (HMBC)

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

Chemical Info

molecular Image
InChI InChI=1S/C10H11N3O/c1-2-7-13-10(14)8-5-3-4-6-9(8)11-12-13/h3-6H,2,7H2,1H3
SMILES CCCn1nnc2c(c1=O)cccc2
InChI Key URTNYDOSUYKMJN-UHFFFAOYSA-N
Molecular Formula C10H11N3O
Exact Mass 189.214 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/URTNYDOSUYKMJN-UHFFFAOYSA-N/CHMO0000601
License URL
Source https://www.chemotion-repository.net/inchikey/URTNYDOSUYKMJN-UHFFFAOYSA-N/CHMO0000601
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T08:22:05.229270
MetadataModified 2024-09-08T00:21:03.285815
MetadataPublished 2023-02-08
Field Value
Measurement Technique heteronuclear multiple bond coherence
Measurement Variables
Data-Source Molecule ID Data-Source
902501 PubChem
CHEMBL1405948 ChEMBL
8241995 eMolecules
ZINC000000482075 ZINC
MCULE-4124033960 Mcule
MolPort-002-818-848 MolPort
The data in this table is sourced from UniChem at EBI.