Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C16H10N2/c1-2-6-12-11(5-1)9-10-15-16(12)18-14-8-4-3-7-13(14)17-15/h1-10H
SMILES c1ccc2c(c1)nc1c(n2)ccc2c1cccc2
InChI Key SEXRCKWGFSXUOO-UHFFFAOYSA-N
Molecular Formula C16H10N2
Exact Mass 230.264 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SEXRCKWGFSXUOO-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/SEXRCKWGFSXUOO-UHFFFAOYSA-N/CHMO0000595
Version
Author Sonja Herres-Pawlis
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T02:40:11.235073
MetadataModified 2024-09-07T17:17:28.437373
MetadataPublished 2020-02-28
Related Molecule
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
DTXSID00177024 EPA CompTox Dashboard
UBOJIG CCDC
232879 Brenda
J3.389.912B Nikkaji
CHEMBL15365 ChEMBL
136045 PubChem
125266203 PubChem: Thomson Pharma
225-61-6 ACToR
ZINC000004429035 ZINC
SCHEMBL88133 SureChEMBL
The data in this table is sourced from UniChem at EBI.