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/C19H16BrN5O/c1-26-17-8-4-15(5-9-17)18-13-25(23-21-18)19-10-11-24(22-19)12-14-2-6-16(20)7-3-14/h2-11,13H,12H2,1H3
SMILES COc1ccc(cc1)c1nnn(c1)c1ccn(n1)Cc1ccc(cc1)Br
InChI Key QXNOXDRDOZJZFO-UHFFFAOYSA-N
Molecular Formula C19H16BrN5O
Exact Mass 410.267 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QXNOXDRDOZJZFO-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/QXNOXDRDOZJZFO-UHFFFAOYSA-N/CHMO0000593
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T02:57:11.847223
MetadataModified 2024-09-08T02:57:11.847228
MetadataPublished 2024-02-14
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables