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/C16H18N2/c1-17-7-11-3-5-13-9-18(2)10-14-6-4-12(8-17)15(11)16(13)14/h3-6H,7-10H2,1-2H3
SMILES CN1Cc2ccc3c4c2c(C1)ccc4CN(C3)C
InChI Key VHNSKBKZGHFGKH-UHFFFAOYSA-N
Molecular Formula C16H18N2
Exact Mass 238.328 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VHNSKBKZGHFGKH-UHFFFAOYSA-N/CHMO0000593.1
License URL
Source https://www.chemotion-repository.net/inchikey/VHNSKBKZGHFGKH-UHFFFAOYSA-N/CHMO0000593.1
Version
Author Joana Krämer
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T07:11:20.907981
MetadataModified 2024-09-07T22:47:56.931731
MetadataPublished 2022-09-13
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
ZINC000004395712 ZINC
902228 PubChem
50196502 BindingDB
SCHEMBL16926968 SureChEMBL
J2.067.007J Nikkaji
CHEMBL225312 ChEMBL
The data in this table is sourced from UniChem at EBI.