Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C14H11NO5/c16-14(17)12-8-11(6-7-13(12)15(18)19)20-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17)
SMILES OC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-]
InChI Key HUIYIFIIMHKYIP-UHFFFAOYSA-N
Molecular Formula C14H11NO5
Exact Mass 273.241 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HUIYIFIIMHKYIP-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/HUIYIFIIMHKYIP-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T01:26:50.244721
MetadataModified 2024-09-07T15:37:23.864612
MetadataPublished 2019-06-27
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
ZINC000022165743 ZINC
DTXSID30462758 EPA CompTox Dashboard
SCHEMBL4936955 SureChEMBL
20102294 eMolecules
11334790 PubChem
16425373 PubChem: Thomson Pharma
The data in this table is sourced from UniChem at EBI.