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/C9H10N2/c1-3-8(10-5-1)7-9-4-2-6-11-9/h1-6,10-11H,7H2
SMILES c1ccc([nH]1)Cc1ccc[nH]1
InChI Key PBTPREHATAFBEN-UHFFFAOYSA-N
Molecular Formula C9H10N2
Exact Mass 146.189 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PBTPREHATAFBEN-UHFFFAOYSA-N/CHMO0000593.1
License URL
Source https://www.chemotion-repository.net/inchikey/PBTPREHATAFBEN-UHFFFAOYSA-N/CHMO0000593.1
Version
Author Lukas Langer
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T06:44:49.289105
MetadataModified 2024-09-07T22:18:48.681793
MetadataPublished 2022-05-16
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL79201 SureChEMBL
140814 PubChem
21211-65-4 ACToR
15194660 PubChem: Thomson Pharma
550539 eMolecules
ZINC000002519489 ZINC
20898 Brenda
36319 ChEBI
MCULE-2564387920 Mcule
DTXSID40175443 EPA CompTox Dashboard
MINGEX CCDC
J817.249H Nikkaji
CB41456420 ChemicalBook
The data in this table is sourced from UniChem at EBI.