Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C9H9N3O6/c1-4-7(10(13)14)5(2)9(12(17)18)6(3)8(4)11(15)16/h1-3H3
SMILES Cc1c([N+](=O)[O-])c(C)c(c(c1[N+](=O)[O-])C)[N+](=O)[O-]
InChI Key YVJCXMCIFPUNDO-UHFFFAOYSA-N
Molecular Formula C9H9N3O6
Exact Mass 255.184 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YVJCXMCIFPUNDO-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/YVJCXMCIFPUNDO-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T01:32:32.695269
MetadataModified 2024-09-07T15:45:49.240421
MetadataPublished 2019-06-27
Related Molecule
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
602-96-0 ACToR
1197922 eMolecules
SCHEMBL4927428 SureChEMBL
HEXTIN CCDC
DTXSID70208950 EPA CompTox Dashboard
ZINC000038140832 ZINC
11771 PubChem
The data in this table is sourced from UniChem at EBI.