Dataset

1H--1H correlation spectroscopy (1H-1H COSY)

dataset for 1H--1H correlation spectroscopy (1H-1H COSY)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C16H17BrN4/c1-16(2,3)20-15-13(11-7-6-9-18-14(11)17)19-12-8-4-5-10-21(12)15/h4-10,20H,1-3H3
SMILES Brc1ncccc1c1nc2n(c1NC(C)(C)C)cccc2
InChI Key HQVPHYCHTWJXNH-UHFFFAOYSA-N
Molecular Formula C16H17BrN4
Exact Mass 345.237 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HQVPHYCHTWJXNH-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/HQVPHYCHTWJXNH-UHFFFAOYSA-N/CHMO0001150
Version
Author Mareen Stahlberger
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T06:23:07.585069
MetadataModified 2024-09-07T22:01:16.309524
MetadataPublished 2022-04-14
Field Value
Measurement Technique 1H–1H correlation spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
163197173 PubChem
The data in this table is sourced from UniChem at EBI.