Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C13H22N6/c1-10(2)19-9-17-11-12(15-8-16-13(11)19)14-6-5-7-18(3)4/h8-10H,5-7H2,1-4H3,(H,14,15,16)
SMILES CN(CCCNc1ncnc2c1ncn2C(C)C)C
InChI Key DYIJRFOKZWKRSU-UHFFFAOYSA-N
Molecular Formula C13H22N6
Exact Mass 262.354 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DYIJRFOKZWKRSU-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/DYIJRFOKZWKRSU-UHFFFAOYSA-N/IR
Version
Author Nicole Jung
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T22:37:04.819031
MetadataModified 2024-09-07T11:57:39.920326
MetadataPublished 2014-05-27
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
73427264 PubChem
The data in this table is sourced from UniChem at EBI.