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/C17H18N6/c1-3-4-5-15-12-22(21-19-15)17-10-13(2)23(20-17)16-8-6-14(11-18)7-9-16/h6-10,12H,3-5H2,1-2H3
SMILES CCCCc1nnn(c1)c1nn(c(c1)C)c1ccc(cc1)C#N
InChI Key WZTARLNNZGQBDW-UHFFFAOYSA-N
Exact Mass 306.365 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WZTARLNNZGQBDW-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/WZTARLNNZGQBDW-UHFFFAOYSA-N/CHMO0000593
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T02:25:41.774438
MetadataModified 2024-09-23T09:22:01.299292
MetadataPublished 2024-02-14
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
temperature : 300.0 K

PULPROG : zg30

number of scans : 16 scans

title : SG-V4003 (7-12)

date : 20231024

starting time : 11.17 h

instrument : spect

label : SG-3383

id : 280409

Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID Data-Source
No additional information available for this Dataset.