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/C10H10ClN/c1-2-7-12-8-9-3-5-10(11)6-4-9/h1,3-6,12H,7-8H2
SMILES C#CCNCc1ccc(cc1)Cl
InChI Key VRYFQVRFMNXTJS-UHFFFAOYSA-N
Molecular Formula C10H10ClN
Exact Mass 179.646 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VRYFQVRFMNXTJS-UHFFFAOYSA-N/NMR/1H/CDCl3/250
License URL
Source https://www.chemotion-repository.net/inchikey/VRYFQVRFMNXTJS-UHFFFAOYSA-N/NMR/1H/CDCl3/250
Version
Author Daniela Althuon
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T23:36:21.992449
MetadataModified 2024-09-07T12:50:52.506978
MetadataPublished 2014-05-27
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
28419231 PubChem
36837749 eMolecules
ZINC000019875340 ZINC
The data in this table is sourced from UniChem at EBI.