Dataset

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C9H7NO/c11-6-8-5-7-3-1-2-4-9(7)10-8/h1-6,10H
SMILES O=Cc1cc2c([nH]1)cccc2
InChI Key SBNOTUDDIXOFSN-UHFFFAOYSA-N
Molecular Formula C9H7NO
Exact Mass 145.158 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SBNOTUDDIXOFSN-UHFFFAOYSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/SBNOTUDDIXOFSN-UHFFFAOYSA-N/CHMO0001146
Version
Author Jana Alpin
Maintainer Chemotion Repository
Language english
MetadataCreated 2025-02-04T13:26:15.662118
MetadataModified 2025-02-04T13:26:15.662124
MetadataPublished 2025-01-08
Related Molecule
Field Value
Measurement Technique 1H–13C heteronuclear single quantum coherence
Measurement Variables
Data-Source Molecule ID Data-Source
DTXSID50172468 EPA CompTox Dashboard
251804 Brenda
J1.035.660A Nikkaji
50037781 BindingDB
R5N9CD7DLM FDA SRS
CHEMBL223708 ChEMBL
96389 PubChem
9FF PDBe
15120099 PubChem: Thomson Pharma
SCHEMBL98455 SureChEMBL
19005-93-7 ACToR
985174 eMolecules
CB4841584 ChemicalBook
ZINC000004100123 ZINC
MCULE-6191488524 Mcule
The data in this table is sourced from UniChem at EBI.