Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C7H7N3/c8-10-9-6-7-4-2-1-3-5-7/h1-5H,6H2
SMILES [N-]=[N+]=NCc1ccccc1
InChI Key UDLLFLQFQMACJB-UHFFFAOYSA-N
Molecular Formula C7H7N3
Exact Mass 133.151 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UDLLFLQFQMACJB-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/UDLLFLQFQMACJB-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T01:11:25.392028
MetadataModified 2024-09-07T15:14:21.354264
MetadataPublished 2019-06-27
Related Molecule
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
622-79-7 ACToR
15297265 PubChem: Thomson Pharma
SCHEMBL4092 SureChEMBL
HFD57Z7J9J FDA SRS
221845 Brenda
882153 eMolecules
12152 PubChem
16931402 PubChem: Thomson Pharma
ZINC000004293814 ZINC
J54.457D Nikkaji
DTXSID90211244 EPA CompTox Dashboard
CHEMBL3236190 ChEMBL
CB4694108 ChemicalBook
MCULE-6984532592 Mcule
The data in this table is sourced from UniChem at EBI.