Dataset

mass spectrometry (MS) ()

dataset for mass spectrometry (MS)

Chemical Info

molecular Image
InChI InChI=1S/C20H26N6O2/c1-6-28-20(27)18-12-22-25(13-17-9-7-8-16(10-17)11-21)19(18)23-24-26(14(2)3)15(4)5/h7-10,12,14-15H,6,13H2,1-5H3/b24-23+
SMILES CCOC(=O)c1cnn(Cc2cccc(C#N)c2)c1/N=N/N(C(C)C)C(C)C
InChI Key WTPBPRNMORPMPY-WCWDXBQESA-N
Molecular Formula C20H26N6O2

Data and Resources

Related Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source
Version
Author Gräßle, Simone, Wippert, Nicolai
Maintainer chemotion-repository
Language en
MetadataCreated 2024-02-18T03:42:44.639422
MetadataModified 2024-02-18T03:42:44.639426
MetadataPublished
Field Value
Measurement Technique
Measurement Variables