Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C9H8N2/c1-2-8-7-5-3-4-6-9(7)11-10-8/h2-6H,1H2,(H,10,11)
SMILES C=Cc1n[nH]c2c1cccc2
InChI Key ULHIQSSXUYRECA-UHFFFAOYSA-N
Molecular Formula C9H8N2
Exact Mass 144.173 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ULHIQSSXUYRECA-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/ULHIQSSXUYRECA-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T01:13:39.832115
MetadataModified 2024-09-07T15:17:43.288610
MetadataPublished 2019-06-27
Related Molecule
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL298966 SureChEMBL
16117750 PubChem: Thomson Pharma
ZINC000024553727 ZINC
11051787 PubChem
The data in this table is sourced from UniChem at EBI.