Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C7H8N2O2/c1-5-3-7(9(10)11)4-6(2)8-5/h3-4H,1-2H3
SMILES Cc1cc(cc(n1)C)[N+](=O)[O-]
InChI Key OLERZURONBJUJK-UHFFFAOYSA-N
Molecular Formula C7H8N2O2
Exact Mass 152.151 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/OLERZURONBJUJK-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/OLERZURONBJUJK-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T01:16:24.693153
MetadataModified 2024-09-07T15:21:47.989449
MetadataPublished 2019-06-27
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
DTXSID30401980 EPA CompTox Dashboard
ZINC000006266291 ZINC
DACYUC CCDC
CB41471087 ChemicalBook
4327895 PubChem
17028816 eMolecules
SCHEMBL2437759 SureChEMBL
The data in this table is sourced from UniChem at EBI.