Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C12H17Br2N3/c1-8(2)17(9(3)4)16-15-12-10(13)6-5-7-11(12)14/h5-9H,1-4H3/b16-15+
SMILES CC(N(C(C)C)/N=N/c1c(Br)cccc1Br)C
InChI Key YAZOHBIJKJQWGW-FOCLMDBBSA-N
Molecular Formula C12H17Br2N3
Exact Mass 363.091 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YAZOHBIJKJQWGW-FOCLMDBBSA-N/NMR/13C/CDCL3/100
License URL
Source https://www.chemotion-repository.net/inchikey/YAZOHBIJKJQWGW-FOCLMDBBSA-N/NMR/13C/CDCL3/100
Version
Author Andreas Hafner
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T22:37:07.280824
MetadataModified 2024-09-07T11:58:12.262548
MetadataPublished 2014-05-27
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
ZINC000210527845 ZINC
The data in this table is sourced from UniChem at EBI.