Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C12H18N4O2/c1-9(2)15(10(3)4)14-13-11-5-7-12(8-6-11)16(17)18/h5-10H,1-4H3/b14-13+
SMILES CC(N(C(C)C)/N=N/c1ccc(cc1)[N+](=O)[O-])C
InChI Key ZACKTSVIIOMNNP-BUHFOSPRSA-N
Molecular Formula C12H18N4O2
Exact Mass 250.297 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZACKTSVIIOMNNP-BUHFOSPRSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/ZACKTSVIIOMNNP-BUHFOSPRSA-N/IR
Version
Author Andreas Hafner
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T22:38:14.343022
MetadataModified 2024-09-07T11:59:40.177342
MetadataPublished 2014-05-27
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
ZINC000018116077 ZINC
The data in this table is sourced from UniChem at EBI.