Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C14H8N2/c1-2-10-6-16-8-12-4-3-11-7-15-5-9(1)13(11)14(10)12/h1-8H
SMILES n1cc2ccc3c4c2c(c1)ccc4cnc3
InChI Key ZPIPUFJBRZFYKJ-UHFFFAOYSA-N
Molecular Formula C14H8N2
Exact Mass 204.227 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZPIPUFJBRZFYKJ-UHFFFAOYSA-N/CHMO0000593.1
License URL
Source https://www.chemotion-repository.net/inchikey/ZPIPUFJBRZFYKJ-UHFFFAOYSA-N/CHMO0000593.1
Version
Author Joana Krämer
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T06:45:57.695861
MetadataModified 2024-09-07T22:19:45.293363
MetadataPublished 2022-06-07
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
J860.590D Nikkaji
GIYHUR CCDC
10465507 PubChem
SCHEMBL153438 SureChEMBL
15487985 PubChem: Thomson Pharma
The data in this table is sourced from UniChem at EBI.