Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR) ()

Chemical Info

InChI	InChI=1S/C28H31BrN6/c1-27(2,3)32-25-23(30-20-14-7-9-16-34(20)25)18-12-11-13-19(22(18)29)24-26(33-28(4,5)6)35-17-10-8-15-21(35)31-24/h7-17,32-33H,1-6H3
SMILES	CC(C)(C)Nc1c(-c2cccc(-c3nc4ccccn4c3NC(C)(C)C)c2Br)nc2ccccn12
InChI Key	IXUAUZAVCPSYKM-UHFFFAOYSA-N
Molecular Formula	C28H31BrN6
Exact Mass	531.502 g/mol

Data and Resources

• 1H nuclear magnetic resonance spectroscopy (1H NMR) ()HTML
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• 1h-nmr
• chemistry

Related Resources

• This dataset related as IsPartOf to https://dx.doi.org/10.14272/IXUAUZAVCPSYKM-UHFFFAOYSA-N.1

Metadata Information

• Additional
• Measurement

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by/4.0
Source
Version
Author	Stahlberger, Mareen
Maintainer	chemotion-repository
Language	en
MetadataCreated	2023-10-07T08:56:36.176575
MetadataModified	2023-10-07T08:56:36.176583
MetadataPublished

Field	Value
Measurement Technique
Measurement Variables