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/C10H11N/c1-2-8-11-9-10-6-4-3-5-7-10/h1,3-7,11H,8-9H2
SMILES C#CCNCc1ccccc1
InChI Key LDYBFSGEBHSTOQ-UHFFFAOYSA-N
Molecular Formula C10H11N
Exact Mass 145.201 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LDYBFSGEBHSTOQ-UHFFFAOYSA-N/NMR/1H/CDCl3/250
License URL
Source https://www.chemotion-repository.net/inchikey/LDYBFSGEBHSTOQ-UHFFFAOYSA-N/NMR/1H/CDCl3/250
Version
Author Daniela Althuon
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T23:44:12.696766
MetadataModified 2024-09-07T13:02:34.773293
MetadataPublished 2014-05-27
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
16019972 PubChem: Thomson Pharma
SCHEMBL669952 SureChEMBL
99277 PubChem
1197-51-9 ACToR
J217.039F Nikkaji
HMDB0244443 Human Metabolome Database
40889 Brenda
ZINC000019312725 ZINC
DTXSID40152552 EPA CompTox Dashboard
MCULE-8947471605 Mcule
CHEMBL1322 ChEMBL
1197208 eMolecules
The data in this table is sourced from UniChem at EBI.