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/C20H30N6O/c1-14(2)26(15(3)4)24-23-20-19(11-21-17(6)27)12-22-25(20)13-18-9-7-16(5)8-10-18/h7-10,12,14-15H,11,13H2,1-6H3,(H,21,27)/b24-23+
SMILES CC(=O)NCc1cnn(c1/N=N/N(C(C)C)C(C)C)Cc1ccc(cc1)C
InChI Key AATCYLWHXDDRIG-WCWDXBQESA-N
Molecular Formula C20H30N6O
Exact Mass 370.492 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/AATCYLWHXDDRIG-WCWDXBQESA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/AATCYLWHXDDRIG-WCWDXBQESA-N/CHMO0000593
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T04:44:28.525095
MetadataModified 2024-09-07T20:01:28.851735
MetadataPublished 2021-07-11
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
155928540 PubChem
The data in this table is sourced from UniChem at EBI.