Dataset

correlation spectroscopy (COSY)

dataset for correlation spectroscopy (COSY)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C10H13N3/c1-10(2,3)8-4-6-9(7-5-8)12-13-11/h4-7H,1-3H3
SMILES CC(c1ccc(cc1)N=[N+]=[N-])(C)C
InChI Key FPTZBVJQJYUZKV-UHFFFAOYSA-N
Exact Mass 175.230 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FPTZBVJQJYUZKV-UHFFFAOYSA-N/CHMO0000599
License URL
Source https://www.chemotion-repository.net/inchikey/FPTZBVJQJYUZKV-UHFFFAOYSA-N/CHMO0000599
Version
Author Tilman Hans Köhler
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T03:48:16.412386
MetadataModified 2024-09-23T09:24:58.081455
MetadataPublished 2024-05-21
Field Value
Measurement Technique correlation spectroscopy
Measurement Variables
temperature : 298.0 K

PULPROG : cosygpppqf

number of scans : 1 scans

title : Nov27-2023

date : 20231127

starting time : 11.12 h

instrument : Avance NEO

label : TIK-81

id : 111628

Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID Data-Source
J2.558.102D Nikkaji
SCHEMBL243077 SureChEMBL
20336103 PubChem
The data in this table is sourced from UniChem at EBI.