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/C17H21FN6/c1-12(2)24(13(3)4)22-20-17-15(9-19)11-23(21-17)10-14-5-7-16(18)8-6-14/h5-8,11-13H,10H2,1-4H3/b22-20+
SMILES N#Cc1cn(nc1/N=N/N(C(C)C)C(C)C)Cc1ccc(cc1)F
InChI Key ADGUCVKMBUJWJM-LSDHQDQOSA-N
Exact Mass 328.387 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ADGUCVKMBUJWJM-LSDHQDQOSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/ADGUCVKMBUJWJM-LSDHQDQOSA-N/CHMO0000593
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T02:24:28.726829
MetadataModified 2024-09-23T09:20:56.595419
MetadataPublished 2024-02-14
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
temperature : 298.0 K

PULPROG : zg30

number of scans : 16 scans

title : NiW-c1241.2

date : 20190904

starting time : 11.05 h

instrument : spect

label : SGV-2605

id : 104384

Solvent : chloroform-D1 (CDCl3)