Dataset

attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)

dataset for attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C11H11N3O2/c1-13(2)9-6-7-12-11-8(9)4-3-5-10(11)14(15)16/h3-7H,1-2H3
SMILES CN(c1ccnc2c1cccc2[N+](=O)[O-])C
InChI Key XTTRESRELVZMEH-UHFFFAOYSA-N
Molecular Formula C11H11N3O2
Exact Mass 217.224 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XTTRESRELVZMEH-UHFFFAOYSA-N/CHMO0000763
License URL
Source https://www.chemotion-repository.net/inchikey/XTTRESRELVZMEH-UHFFFAOYSA-N/CHMO0000763
Version
Author Alexander Hoffmann
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T06:14:53.823791
MetadataModified 2024-09-07T21:54:53.321869
MetadataPublished 2022-02-18
Field Value
Measurement Technique attenuated total reflectance Fourier transform infrared spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
162624767 PubChem
The data in this table is sourced from UniChem at EBI.