Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C14H12BrN5O2/c1-22-14(21)12-9-20(18-16-12)13-6-7-19(17-13)8-10-2-4-11(15)5-3-10/h2-7,9H,8H2,1H3
SMILES	COC(=O)c1nnn(c1)c1ccn(n1)Cc1ccc(cc1)Br
InChI Key	CNHRLRYEDLASIW-UHFFFAOYSA-N
Molecular Formula	C14H12BrN5O2
Exact Mass	362.181 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/CNHRLRYEDLASIW-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/CNHRLRYEDLASIW-UHFFFAOYSA-N/CHMO0000470
Version
Author	Nicolai Wippert
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T02:57:36.586940
MetadataModified	2024-09-08T02:57:36.586945
MetadataPublished	2024-02-14

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
No additional information available for this Dataset.