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/C12H18BrN3/c1-9(2)16(10(3)4)15-14-12-7-5-11(13)6-8-12/h5-10H,1-4H3/b15-14+
SMILES CC(N(C(C)C)/N=N/c1ccc(cc1)Br)C
InChI Key QLXNVOCOMUCNFL-CCEZHUSRSA-N
Molecular Formula C12H18BrN3
Exact Mass 284.195 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QLXNVOCOMUCNFL-CCEZHUSRSA-N/NMR/13C/CDCL3/100
License URL
Source https://www.chemotion-repository.net/inchikey/QLXNVOCOMUCNFL-CCEZHUSRSA-N/NMR/13C/CDCL3/100
Version
Author Andreas Hafner
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T22:39:26.123884
MetadataModified 2024-09-07T12:01:10.208458
MetadataPublished 2014-05-27
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
J3.346.119D Nikkaji
The data in this table is sourced from UniChem at EBI.