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/C14H15N5/c1-2-3-6-11-10-19(18-17-11)14-9-15-12-7-4-5-8-13(12)16-14/h4-5,7-10H,2-3,6H2,1H3
SMILES CCCCc1nnn(c1)c1cnc2c(n1)cccc2
InChI Key AHSWENVYXHLEHF-UHFFFAOYSA-N
Molecular Formula C14H15N5
Exact Mass 253.302 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/AHSWENVYXHLEHF-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/AHSWENVYXHLEHF-UHFFFAOYSA-N/CHMO0000593
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T06:10:19.670116
MetadataModified 2024-09-07T21:51:24.753904
MetadataPublished 2022-02-11
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
162623363 PubChem
The data in this table is sourced from UniChem at EBI.